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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-(phenylcarbonyl)-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 1-benzoyl-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 1-benzoyl-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzoyl-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 1-benzoyl-3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C31H32Cl2N2O3 MolecularWeight: 551.50338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H32Cl2N2O3/c1-2-31(24-15-17-34-20-24)27(22-13-14-25(32)26(33)19-22)30(29(37)38,23-11-7-4-8-12-23)16-18-35(31)28(36)21-9-5-3-6-10-21/h3-14,19,24,27,34H,2,15-18,20H2,1H3,(H,37,38)