[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate

C289H356F12N10O32 — CID 161072552

IUPAC[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CC)cc3)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(CCCCC)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3CC)n(CCCC(C)C)c2c1
InChIInChI=1S/C33H42F3NO4.2C31H41NO3.2C30H36F3NO3.C29H37NO3.C28H32F3NO4.C28H35NO3.C27H33NO3.C22H23NO3/c1-6-8-10-12-25-13-16-28(31(18-25)41-33(34,35)36)30-19-26-14-15-27(20-29(26)37(30)17-11-9-7-2)39-21-24(5)22-40-32(38)23(3)4;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)9-3)34-20-23(6)21-35-31(33)22(4)5;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)22(4)5)34-20-23(6)21-35-31(33)9-3;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)7-2)36-18-21(5)19-37-29(35)20(3)4;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)20(3)4)36-18-21(5)19-37-29(35)7-2;1-6-23-12-8-9-13-26(23)28-17-24-14-15-25(32-19-22(5)20-33-29(31)7-2)18-27(24)30(28)16-10-11-21(3)4;1-5-7-8-9-20-10-13-23(26(14-20)36-28(29,30)31)25-15-21-11-12-22(16-24(21)32(25)4)34-17-19(3)18-35-27(33)6-2;1-7-22-8-10-23(11-9-22)26-14-24-12-13-25(15-27(24)29(26)16-19(2)3)31-17-21(6)18-32-28(30)20(4)5;1-5-6-10-15-28-25(22-11-8-7-9-12-22)16-23-13-14-24(17-26(23)28)30-18-21(4)19-31-27(29)20(2)3;1-4-22(24)26-15-16(2)14-25-19-11-10-18-12-20(23(3)21(18)13-19)17-8-6-5-7-9-17/h13-16,18-20,24H,3,6-12,17,21-22H2,1-2,4-5H3;13-19,23H,4,7-12,20-21H2,1-3,5-6H3;9,13-19,22-23H,3,7-8,10-12,20-21H2,1-2,4-6H3;11-17,21H,3,6-10,18-19H2,1-2,4-5H3;7,11-17,20-21H,2,6,8-10,18-19H2,1,3-5H3;7-9,12-15,17-18,21-22H,2,6,10-11,16,19-20H2,1,3-5H3;6,10-16,19H,2,5,7-9,17-18H2,1,3-4H3;8-15,19,21H,4,7,16-18H2,1-3,5-6H3;7-9,11-14,16-17,21H,2,5-6,10,15,18-19H2,1,3-4H3;4-13,16H,1,14-15H2,2-3H3
InChIKeyUEVRVXLDEBFNEI-UHFFFAOYSA-N
MW4710.04 g/mol
LogP73.70
Rot. Bonds118

About [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate

[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate (PubChem CID 161072552) has the molecular formula C289H356F12N10O32 and a molecular weight of 4710.04 g/mol. Its IUPAC name is [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate
PubChem CID161072552
Molecular FormulaC289H356F12N10O32
Molecular Weight4710.04 g/mol
Exact Mass4706.63
IUPAC Name[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CC)cc3)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(CCCCC)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3CC)n(CCCC(C)C)c2c1
InChIInChI=1S/C33H42F3NO4.2C31H41NO3.2C30H36F3NO3.C29H37NO3.C28H32F3NO4.C28H35NO3.C27H33NO3.C22H23NO3/c1-6-8-10-12-25-13-16-28(31(18-25)41-33(34,35)36)30-19-26-14-15-27(20-29(26)37(30)17-11-9-7-2)39-21-24(5)22-40-32(38)23(3)4;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)9-3)34-20-23(6)21-35-31(33)22(4)5;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)22(4)5)34-20-23(6)21-35-31(33)9-3;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)7-2)36-18-21(5)19-37-29(35)20(3)4;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)20(3)4)36-18-21(5)19-37-29(35)7-2;1-6-23-12-8-9-13-26(23)28-17-24-14-15-25(32-19-22(5)20-33-29(31)7-2)18-27(24)30(28)16-10-11-21(3)4;1-5-7-8-9-20-10-13-23(26(14-20)36-28(29,30)31)25-15-21-11-12-22(16-24(21)32(25)4)34-17-19(3)18-35-27(33)6-2;1-7-22-8-10-23(11-9-22)26-14-24-12-13-25(15-27(24)29(26)16-19(2)3)31-17-21(6)18-32-28(30)20(4)5;1-5-6-10-15-28-25(22-11-8-7-9-12-22)16-23-13-14-24(17-26(23)28)30-18-21(4)19-31-27(29)20(2)3;1-4-22(24)26-15-16(2)14-25-19-11-10-18-12-20(23(3)21(18)13-19)17-8-6-5-7-9-17/h13-16,18-20,24H,3,6-12,17,21-22H2,1-2,4-5H3;13-19,23H,4,7-12,20-21H2,1-3,5-6H3;9,13-19,22-23H,3,7-8,10-12,20-21H2,1-2,4-6H3;11-17,21H,3,6-10,18-19H2,1-2,4-5H3;7,11-17,20-21H,2,6,8-10,18-19H2,1,3-5H3;7-9,12-15,17-18,21-22H,2,6,10-11,16,19-20H2,1,3-5H3;6,10-16,19H,2,5,7-9,17-18H2,1,3-4H3;8-15,19,21H,4,7,16-18H2,1-3,5-6H3;7-9,11-14,16-17,21H,2,5-6,10,15,18-19H2,1,3-4H3;4-13,16H,1,14-15H2,2-3H3
InChIKeyUEVRVXLDEBFNEI-UHFFFAOYSA-N
XLogP73.70
TPSA423.06 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds118
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004710.04
LogP ≤ 573.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate?
The IUPAC name of [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate (CID 161072552) is [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate.
What is the SMILES notation for [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate?
The canonical SMILES for [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate is C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CC)cc3)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(CCCCC)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C(C)C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=CC(=O)OCC(C)COc1ccc2cc(-c3ccccc3CC)n(CCCC(C)C)c2c1.
What is the InChIKey of [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate?
The InChIKey is UEVRVXLDEBFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F3NO4.2C31H41NO3.2C30H36F3NO3.C29H37NO3.C28H32F3NO4.C28H35NO3.C27H33NO3.C22H23NO3/c1-6-8-10-12-25-13-16-28(31(18-25)41-33(34,35)36)30-19-26-14-15-27(20-29(26)37(30)17-11-9-7-2)39-21-24(5)22-40-32(38)23(3)4;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)9-3)34-20-23(6)21-35-31(33)22(4)5;1-7-10-11-12-24-13-16-28(25(8-2)17-24)30-18-26-14-15-27(19-29(26)32(30)22(4)5)34-20-23(6)21-35-31(33)9-3;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)7-2)36-18-21(5)19-37-29(35)20(3)4;1-6-8-9-10-22-11-14-25(26(15-22)30(31,32)33)28-16-23-12-13-24(17-27(23)34(28)20(3)4)36-18-21(5)19-37-29(35)7-2;1-6-23-12-8-9-13-26(23)28-17-24-14-15-25(32-19-22(5)20-33-29(31)7-2)18-27(24)30(28)16-10-11-21(3)4;1-5-7-8-9-20-10-13-23(26(14-20)36-28(29,30)31)25-15-21-11-12-22(16-24(21)32(25)4)34-17-19(3)18-35-27(33)6-2;1-7-22-8-10-23(11-9-22)26-14-24-12-13-25(15-27(24)29(26)16-19(2)3)31-17-21(6)18-32-28(30)20(4)5;1-5-6-10-15-28-25(22-11-8-7-9-12-22)16-23-13-14-24(17-26(23)28)30-18-21(4)19-31-27(29)20(2)3;1-4-22(24)26-15-16(2)14-25-19-11-10-18-12-20(23(3)21(18)13-19)17-8-6-5-7-9-17/h13-16,18-20,24H,3,6-12,17,21-22H2,1-2,4-5H3;13-19,23H,4,7-12,20-21H2,1-3,5-6H3;9,13-19,22-23H,3,7-8,10-12,20-21H2,1-2,4-6H3;11-17,21H,3,6-10,18-19H2,1-2,4-5H3;7,11-17,20-21H,2,6,8-10,18-19H2,1,3-5H3;7-9,12-15,17-18,21-22H,2,6,10-11,16,19-20H2,1,3-5H3;6,10-16,19H,2,5,7-9,17-18H2,1,3-4H3;8-15,19,21H,4,7,16-18H2,1-3,5-6H3;7-9,11-14,16-17,21H,2,5-6,10,15,18-19H2,1,3-4H3;4-13,16H,1,14-15H2,2-3H3.
What are the key properties of [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate?
[3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate has a molecular weight of 4710.04 g/mol, XLogP of 73.70, 118 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[3-[2-(2-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2-methylpropyl] prop-2-enoate;[3-[2-(4-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-2-methylpropyl] 2-methylprop-2-enoate;[2-methyl-3-[1-methyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2-methyl-3-(1-methyl-2-phenylindol-6-yl)oxypropyl] prop-2-enoate;[2-methyl-3-[1-pentyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-(1-pentyl-2-phenylindol-6-yl)oxypropyl] 2-methylprop-2-enoate;[2-methyl-3-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate is sourced from PubChem (CID 161072552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).