3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid

C248H283F38N17O33 — CID 160609094

IUPAC3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N2COc3c(cc(C(F)(F)F)cc3C(F)(F)F)C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)cc(C(F)(F)F)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(C(F)(F)F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)C(C(F)(F)F)C2)C1.CC1CC(c2cc(F)cc(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CC(c2ccc(F)c(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3COc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cncc(C(=O)O)c1.COc1ccc(C2CCN([C@@H]3CC[C@@](C(=O)N4COc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)cc1C(=O)O
InChIInChI=1S/C32H39F3N2O5.4C31H34F6N2O4.2C31H36F4N2O4.C30H36F3N3O4/c1-19(2)31(30(40)37-17-22-13-23(32(33,34)35)6-8-27(22)42-18-37)11-9-24(15-31)36-12-10-25(20(3)16-36)21-5-7-28(41-4)26(14-21)29(38)39;1-18(2)29(28(42)39-16-21-13-22(30(32,33)34)4-6-26(21)43-17-39)10-7-23(15-29)38-11-8-19(9-12-38)20-3-5-25(31(35,36)37)24(14-20)27(40)41;1-18(2)29(28(42)39-16-22-14-23(30(32,33)34)3-4-26(22)43-17-39)8-5-25(15-29)38-9-6-19(7-10-38)20-11-21(27(40)41)13-24(12-20)31(35,36)37;1-18(2)29(9-6-24(15-29)38-10-7-19(8-11-38)20-4-3-5-21(12-20)27(40)41)28(42)39-16-22-13-23(30(32,33)34)14-25(31(35,36)37)26(22)43-17-39;1-18(2)29(28(42)39-15-21-13-22(30(32,33)34)6-7-26(21)43-17-39)10-8-23(14-29)38-11-9-24(25(16-38)31(35,36)37)19-4-3-5-20(12-19)27(40)41;1-18(2)30(29(40)36-16-22-13-23(31(33,34)35)5-7-27(22)41-17-36)10-8-24(15-30)37-11-9-21(12-19(37)3)20-4-6-26(32)25(14-20)28(38)39;1-18(2)30(29(40)36-16-23-12-24(31(33,34)35)4-5-27(23)41-17-36)8-6-26(15-30)37-9-7-20(10-19(37)3)21-11-22(28(38)39)14-25(32)13-21;1-18(2)29(28(39)36-16-22-11-23(30(31,32)33)4-5-26(22)40-17-36)8-6-24(12-29)35-9-7-25(19(3)15-35)20-10-21(27(37)38)14-34-13-20/h5-8,13-14,19-20,24-25H,9-12,15-18H2,1-4H3,(H,38,39);3-6,13-14,18-19,23H,7-12,15-17H2,1-2H3,(H,40,41);3-4,11-14,18-19,25H,5-10,15-17H2,1-2H3,(H,40,41);3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,40,41);3-7,12-13,18,23-25H,8-11,14-17H2,1-2H3,(H,40,41);4-7,13-14,18-19,21,24H,8-12,15-17H2,1-3H3,(H,38,39);4-5,11-14,18-20,26H,6-10,15-17H2,1-3H3,(H,38,39);4-5,10-11,13-14,18-19,24-25H,6-9,12,15-17H2,1-3H3,(H,37,38)/t20?,24-,25?,31+;23-,29+;25-,29+;24-,29+;23-,24?,25?,29+;19?,21?,24-,30+;19?,20?,26-,30+;19?,24-,25?,29+/m11111111/s1
InChIKeyRFGQKFHDUQXTFS-SBEUEBSKSA-N
MW4752.00 g/mol
LogP54.05
Rot. Bonds41

About 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid

3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid (PubChem CID 160609094) has the molecular formula C248H283F38N17O33 and a molecular weight of 4752.00 g/mol. Its IUPAC name is 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
PubChem CID160609094
Molecular FormulaC248H283F38N17O33
Molecular Weight4752.00 g/mol
Exact Mass4749.04
IUPAC Name3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N2COc3c(cc(C(F)(F)F)cc3C(F)(F)F)C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)cc(C(F)(F)F)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(C(F)(F)F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)C(C(F)(F)F)C2)C1.CC1CC(c2cc(F)cc(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CC(c2ccc(F)c(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3COc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cncc(C(=O)O)c1.COc1ccc(C2CCN([C@@H]3CC[C@@](C(=O)N4COc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)cc1C(=O)O
InChIInChI=1S/C32H39F3N2O5.4C31H34F6N2O4.2C31H36F4N2O4.C30H36F3N3O4/c1-19(2)31(30(40)37-17-22-13-23(32(33,34)35)6-8-27(22)42-18-37)11-9-24(15-31)36-12-10-25(20(3)16-36)21-5-7-28(41-4)26(14-21)29(38)39;1-18(2)29(28(42)39-16-21-13-22(30(32,33)34)4-6-26(21)43-17-39)10-7-23(15-29)38-11-8-19(9-12-38)20-3-5-25(31(35,36)37)24(14-20)27(40)41;1-18(2)29(28(42)39-16-22-14-23(30(32,33)34)3-4-26(22)43-17-39)8-5-25(15-29)38-9-6-19(7-10-38)20-11-21(27(40)41)13-24(12-20)31(35,36)37;1-18(2)29(9-6-24(15-29)38-10-7-19(8-11-38)20-4-3-5-21(12-20)27(40)41)28(42)39-16-22-13-23(30(32,33)34)14-25(31(35,36)37)26(22)43-17-39;1-18(2)29(28(42)39-15-21-13-22(30(32,33)34)6-7-26(21)43-17-39)10-8-23(14-29)38-11-9-24(25(16-38)31(35,36)37)19-4-3-5-20(12-19)27(40)41;1-18(2)30(29(40)36-16-22-13-23(31(33,34)35)5-7-27(22)41-17-36)10-8-24(15-30)37-11-9-21(12-19(37)3)20-4-6-26(32)25(14-20)28(38)39;1-18(2)30(29(40)36-16-23-12-24(31(33,34)35)4-5-27(23)41-17-36)8-6-26(15-30)37-9-7-20(10-19(37)3)21-11-22(28(38)39)14-25(32)13-21;1-18(2)29(28(39)36-16-22-11-23(30(31,32)33)4-5-26(22)40-17-36)8-6-24(12-29)35-9-7-25(19(3)15-35)20-10-21(27(37)38)14-34-13-20/h5-8,13-14,19-20,24-25H,9-12,15-18H2,1-4H3,(H,38,39);3-6,13-14,18-19,23H,7-12,15-17H2,1-2H3,(H,40,41);3-4,11-14,18-19,25H,5-10,15-17H2,1-2H3,(H,40,41);3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,40,41);3-7,12-13,18,23-25H,8-11,14-17H2,1-2H3,(H,40,41);4-7,13-14,18-19,21,24H,8-12,15-17H2,1-3H3,(H,38,39);4-5,11-14,18-20,26H,6-10,15-17H2,1-3H3,(H,38,39);4-5,10-11,13-14,18-19,24-25H,6-9,12,15-17H2,1-3H3,(H,37,38)/t20?,24-,25?,31+;23-,29+;25-,29+;24-,29+;23-,24?,25?,29+;19?,21?,24-,30+;19?,20?,26-,30+;19?,24-,25?,29+/m11111111/s1
InChIKeyRFGQKFHDUQXTFS-SBEUEBSKSA-N
XLogP54.05
TPSA582.76 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004752.00
LogP ≤ 554.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid?
The IUPAC name of 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid (CID 160609094) is 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid.
What is the SMILES notation for 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid?
The canonical SMILES for 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid is CC(C)[C@]1(C(=O)N2COc3c(cc(C(F)(F)F)cc3C(F)(F)F)C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)cc(C(F)(F)F)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(C(F)(F)F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)C(C(F)(F)F)C2)C1.CC1CC(c2cc(F)cc(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CC(c2ccc(F)c(C(=O)O)c2)CCN1[C@@H]1CC[C@@](C(=O)N2COc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3COc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cncc(C(=O)O)c1.COc1ccc(C2CCN([C@@H]3CC[C@@](C(=O)N4COc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)cc1C(=O)O.
What is the InChIKey of 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid?
The InChIKey is RFGQKFHDUQXTFS-SBEUEBSKSA-N. The full InChI is InChI=1S/C32H39F3N2O5.4C31H34F6N2O4.2C31H36F4N2O4.C30H36F3N3O4/c1-19(2)31(30(40)37-17-22-13-23(32(33,34)35)6-8-27(22)42-18-37)11-9-24(15-31)36-12-10-25(20(3)16-36)21-5-7-28(41-4)26(14-21)29(38)39;1-18(2)29(28(42)39-16-21-13-22(30(32,33)34)4-6-26(21)43-17-39)10-7-23(15-29)38-11-8-19(9-12-38)20-3-5-25(31(35,36)37)24(14-20)27(40)41;1-18(2)29(28(42)39-16-22-14-23(30(32,33)34)3-4-26(22)43-17-39)8-5-25(15-29)38-9-6-19(7-10-38)20-11-21(27(40)41)13-24(12-20)31(35,36)37;1-18(2)29(9-6-24(15-29)38-10-7-19(8-11-38)20-4-3-5-21(12-20)27(40)41)28(42)39-16-22-13-23(30(32,33)34)14-25(31(35,36)37)26(22)43-17-39;1-18(2)29(28(42)39-15-21-13-22(30(32,33)34)6-7-26(21)43-17-39)10-8-23(14-29)38-11-9-24(25(16-38)31(35,36)37)19-4-3-5-20(12-19)27(40)41;1-18(2)30(29(40)36-16-22-13-23(31(33,34)35)5-7-27(22)41-17-36)10-8-24(15-30)37-11-9-21(12-19(37)3)20-4-6-26(32)25(14-20)28(38)39;1-18(2)30(29(40)36-16-23-12-24(31(33,34)35)4-5-27(23)41-17-36)8-6-26(15-30)37-9-7-20(10-19(37)3)21-11-22(28(38)39)14-25(32)13-21;1-18(2)29(28(39)36-16-22-11-23(30(31,32)33)4-5-26(22)40-17-36)8-6-24(12-29)35-9-7-25(19(3)15-35)20-10-21(27(37)38)14-34-13-20/h5-8,13-14,19-20,24-25H,9-12,15-18H2,1-4H3,(H,38,39);3-6,13-14,18-19,23H,7-12,15-17H2,1-2H3,(H,40,41);3-4,11-14,18-19,25H,5-10,15-17H2,1-2H3,(H,40,41);3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,40,41);3-7,12-13,18,23-25H,8-11,14-17H2,1-2H3,(H,40,41);4-7,13-14,18-19,21,24H,8-12,15-17H2,1-3H3,(H,38,39);4-5,11-14,18-20,26H,6-10,15-17H2,1-3H3,(H,38,39);4-5,10-11,13-14,18-19,24-25H,6-9,12,15-17H2,1-3H3,(H,37,38)/t20?,24-,25?,31+;23-,29+;25-,29+;24-,29+;23-,24?,25?,29+;19?,21?,24-,30+;19?,20?,26-,30+;19?,24-,25?,29+/m11111111/s1.
What are the key properties of 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid?
3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid has a molecular weight of 4752.00 g/mol, XLogP of 54.05, 41 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[2-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-methoxy-5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;5-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]pyridine-3-carboxylic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-5-(trifluoromethyl)benzoic acid;5-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]-2-(trifluoromethyl)benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-3-(trifluoromethyl)piperidin-4-yl]benzoic acid is sourced from PubChem (CID 160609094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).