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

Systemtic Name: 2-ethyl-4-phenyl-2-pyrrolidin-3-yl-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 2-ethyl-4-phenyl-2-pyrrolidin-3-yl-3-(2-thienyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 2-ethyl-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-3-thiophen-2-yl-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-4-phenyl-2-pyrrolidin-3-yl-3-thiophen-2-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 2-ethyl-4-phenyl-2-pyrrolidin-3-yl-3-(2-thienyl)-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C32H38N2O6S MolecularWeight: 578.71892

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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=CS4)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=CS4)C5CCNC5

InChI

InChI=1S/C32H38N2O6S/c1-5-32(23-13-15-33-20-23)28(26-12-9-17-41-26)31(30(36)37,22-10-7-6-8-11-22)14-16-34(32)29(35)21-18-24(38-2)27(40-4)25(19-21)39-3/h6-12,17-19,23,28,33H,5,13-16,20H2,1-4H3,(H,36,37)