{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid (Q27461334)

CHEMBL321022 (English)

19 October 2016

chemical formula

C₃₂H₄₁NO₉

1 reference

CHEMBL321022 (English)

19 October 2016

canonical SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC(=O)O

1 reference

CHEMBL321022 (English)

19 October 2016

isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC(=O)O

1 reference

CHEMBL321022 (English)

InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL321022 (English)

CKUAMXWZIHXZJC-LOSJGSFVSA-N

19 October 2016

InChIKey

1 reference

CHEMBL321022 (English)

19 October 2016

1 reference

{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinyl]carbonyl}oxy)propyl]phenoxy}acetic acid (English)

19 October 2016

2 references

CHEMBL321022 (English)

matched by identifier from

19 October 2016

InChIKey

CKUAMXWZIHXZJC-LOSJGSFVSA-N

1 reference

matched by identifier from

CHEMBL321022 (English)

19 October 2016

2 references

inferred from InChIKey

InChIKey

CKUAMXWZIHXZJC-LOSJGSFVSA-N

1 reference

0 references

0 references

1 reference

4LAY (English)

19 October 2016

1 reference

4DRK (English)