3-(3,4-dichlorophenyl)-2-ethyl-1-[2-oxidanylidene-2-(3-propan-2-yloxyphenyl)ethyl]-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[2-oxidanylidene-2-(3-propan-2-yloxyphenyl)ethyl]-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[2-(3-isopropoxyphenyl)-2-oxo-ethyl]-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[2-(3-isopropoxyphenyl)-2-keto-ethyl]-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C35H40Cl2N2O4 MolecularWeight: 623.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1CC(=O)C2=CC(=CC=C2)OC(C)C)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1CC(=O)C2=CC(=CC=C2)OC(C)C)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

InChI

InChI=1S/C35H40Cl2N2O4/c1-4-35(27-15-17-38-21-27)32(25-13-14-29(36)30(37)20-25)34(33(41)42,26-10-6-5-7-11-26)16-18-39(35)22-31(40)24-9-8-12-28(19-24)43-23(2)3/h5-14,19-20,23,27,32,38H,4,15-18,21-22H2,1-3H3,(H,41,42)