2-ethyl-3-(4-hydroxyphenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid

Systemtic Name: 2-ethyl-3-(4-hydroxyphenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 2-ethyl-3-(4-hydroxyphenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 2-ethyl-3-(4-hydroxyphenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-3-(4-hydroxyphenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 2-ethyl-3-(4-hydroxyphenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C34H40N2O7 MolecularWeight: 588.6906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)O)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)O)C5CCNC5

InChI

InChI=1S/C34H40N2O7/c1-5-34(25-15-17-35-21-25)30(22-11-13-26(37)14-12-22)33(32(39)40,24-9-7-6-8-10-24)16-18-36(34)31(38)23-19-27(41-2)29(43-4)28(20-23)42-3/h6-14,19-20,25,30,35,37H,5,15-18,21H2,1-4H3,(H,39,40)