3-(3,4-dichlorophenyl)-2-ethyl-1-(3-methoxyphenyl)carbonyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-(3-methoxyphenyl)carbonyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-(3-methoxybenzoyl)-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[(3-methoxyphenyl)-oxomethyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-(3-methoxybenzoyl)-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-m-anisoyl-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C32H34Cl2N2O4 MolecularWeight: 581.52936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H34Cl2N2O4/c1-3-32(24-14-16-35-20-24)28(21-12-13-26(33)27(34)19-21)31(30(38)39,23-9-5-4-6-10-23)15-17-36(32)29(37)22-8-7-11-25(18-22)40-2/h4-13,18-19,24,28,35H,3,14-17,20H2,1-2H3,(H,38,39)