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

Systemtic Name: 3-(3,4-dichlorophenyl)-4-phenyl-2-propyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-4-phenyl-2-propyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-2-propyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-4-phenyl-2-propyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-4-phenyl-2-propyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C35H40Cl2N2O6 MolecularWeight: 655.6079

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

Isomeric SMILES

CCCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

InChI

InChI=1S/C35H40Cl2N2O6/c1-5-14-35(25-13-16-38-21-25)31(22-11-12-26(36)27(37)18-22)34(33(41)42,24-9-7-6-8-10-24)15-17-39(35)32(40)23-19-28(43-2)30(45-4)29(20-23)44-3/h6-12,18-20,25,31,38H,5,13-17,21H2,1-4H3,(H,41,42)