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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 1-(4-chlorobenzoyl)-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 1-(4-chlorobenzoyl)-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C31H31Cl3N2O3 MolecularWeight: 585.94844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31Cl3N2O3/c1-2-31(23-14-16-35-19-23)27(21-10-13-25(33)26(34)18-21)30(29(38)39,22-6-4-3-5-7-22)15-17-36(31)28(37)20-8-11-24(32)12-9-20/h3-13,18,23,27,35H,2,14-17,19H2,1H3,(H,38,39)