5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one

C219H235N11O31 — CID 159350222

IUPAC5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
SMILESC=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@H]5c6ccc(O)cc6CC[C@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@H](N2Cc3cc(OCC[C@@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCC[C@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C45H49N3O5.2C43H46N2O7.C43H45NO7/c2*1-30-9-20-42(44(50)46-30)48-29-35-27-38(16-19-41(35)45(48)51)52-24-21-31-6-5-22-47(28-31)23-25-53-37-14-10-33(11-15-37)43-39(32-7-3-2-4-8-32)17-12-34-26-36(49)13-18-40(34)43;2*1-29-8-19-40(42(47)44-29)45-28-33-27-36(15-18-39(33)43(45)48)51-21-5-20-49-22-23-50-24-25-52-35-13-9-31(10-14-35)41-37(30-6-3-2-4-7-30)16-11-32-26-34(46)12-17-38(32)41;1-29-7-18-40(41(46)25-29)44-28-33-27-36(14-17-39(33)43(44)47)51-24-22-49-20-19-48-21-23-50-35-12-8-31(9-13-35)42-37(30-5-3-2-4-6-30)15-10-32-26-34(45)11-16-38(32)42/h2*2-4,7-8,10-11,13-16,18-19,26-27,31,39,42-43,49H,1,5-6,9,12,17,20-25,28-29H2,(H,46,50);2*2-4,6-7,9-10,12-15,17-18,26-27,37,40-41,46H,1,5,8,11,16,19-25,28H2,(H,44,47);2-6,8-9,11-14,16-17,26-27,37,40,42,45H,1,7,10,15,18-25,28H2/t31-,39+,42+,43-;31-,39-,42-,43+;37-,40+,41+;37-,40-,41+;37-,40+,42+/m10101/s1
InChIKeyLHFOSLPQFGKLCD-AGFUXRDZSA-N
MW3517.33 g/mol
LogP36.27
Rot. Bonds66

About 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one

5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one (PubChem CID 159350222) has the molecular formula C219H235N11O31 and a molecular weight of 3517.33 g/mol. Its IUPAC name is 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
PubChem CID159350222
Molecular FormulaC219H235N11O31
Molecular Weight3517.33 g/mol
Exact Mass3514.72
IUPAC Name5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
SMILESC=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@H]5c6ccc(O)cc6CC[C@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@H](N2Cc3cc(OCC[C@@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCC[C@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C45H49N3O5.2C43H46N2O7.C43H45NO7/c2*1-30-9-20-42(44(50)46-30)48-29-35-27-38(16-19-41(35)45(48)51)52-24-21-31-6-5-22-47(28-31)23-25-53-37-14-10-33(11-15-37)43-39(32-7-3-2-4-8-32)17-12-34-26-36(49)13-18-40(34)43;2*1-29-8-19-40(42(47)44-29)45-28-33-27-36(15-18-39(33)43(45)48)51-21-5-20-49-22-23-50-24-25-52-35-13-9-31(10-14-35)41-37(30-6-3-2-4-7-30)16-11-32-26-34(46)12-17-38(32)41;1-29-7-18-40(41(46)25-29)44-28-33-27-36(14-17-39(33)43(44)47)51-24-22-49-20-19-48-21-23-50-35-12-8-31(9-13-35)42-37(30-5-3-2-4-6-30)15-10-32-26-34(45)11-16-38(32)42/h2*2-4,7-8,10-11,13-16,18-19,26-27,31,39,42-43,49H,1,5-6,9,12,17,20-25,28-29H2,(H,46,50);2*2-4,6-7,9-10,12-15,17-18,26-27,37,40-41,46H,1,5,8,11,16,19-25,28H2,(H,44,47);2-6,8-9,11-14,16-17,26-27,37,40,42,45H,1,7,10,15,18-25,28H2/t31-,39+,42+,43-;31-,39-,42-,43+;37-,40+,41+;37-,40-,41+;37-,40+,42+/m10101/s1
InChIKeyLHFOSLPQFGKLCD-AGFUXRDZSA-N
XLogP36.27
TPSA490.33 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds66
Heavy Atoms261
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003517.33
LogP ≤ 536.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one?
The IUPAC name of 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one (CID 159350222) is 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one is C=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCCOCCOCCOc4ccc([C@H]5c6ccc(O)cc6CC[C@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCOCCOCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)C1.C=C1CC[C@H](N2Cc3cc(OCC[C@@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCC[C@H]4CCCN(CCOc5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one?
The InChIKey is LHFOSLPQFGKLCD-AGFUXRDZSA-N. The full InChI is InChI=1S/2C45H49N3O5.2C43H46N2O7.C43H45NO7/c2*1-30-9-20-42(44(50)46-30)48-29-35-27-38(16-19-41(35)45(48)51)52-24-21-31-6-5-22-47(28-31)23-25-53-37-14-10-33(11-15-37)43-39(32-7-3-2-4-8-32)17-12-34-26-36(49)13-18-40(34)43;2*1-29-8-19-40(42(47)44-29)45-28-33-27-36(15-18-39(33)43(45)48)51-21-5-20-49-22-23-50-24-25-52-35-13-9-31(10-14-35)41-37(30-6-3-2-4-7-30)16-11-32-26-34(46)12-17-38(32)41;1-29-7-18-40(41(46)25-29)44-28-33-27-36(14-17-39(33)43(44)47)51-24-22-49-20-19-48-21-23-50-35-12-8-31(9-13-35)42-37(30-5-3-2-4-6-30)15-10-32-26-34(45)11-16-38(32)42/h2*2-4,7-8,10-11,13-16,18-19,26-27,31,39,42-43,49H,1,5-6,9,12,17,20-25,28-29H2,(H,46,50);2*2-4,6-7,9-10,12-15,17-18,26-27,37,40-41,46H,1,5,8,11,16,19-25,28H2,(H,44,47);2-6,8-9,11-14,16-17,26-27,37,40,42,45H,1,7,10,15,18-25,28H2/t31-,39+,42+,43-;31-,39-,42-,43+;37-,40+,41+;37-,40-,41+;37-,40+,42+/m10101/s1.
What are the key properties of 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one?
5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one has a molecular weight of 3517.33 g/mol, XLogP of 36.27, 66 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-[(1S)-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]propoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3S)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[2-[(3R)-1-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-3-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 159350222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).