3-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)carbonyl-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)carbonyl-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-1-(2,6-dimethoxybenzoyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-1-[(2,6-dimethoxyphenyl)-oxomethyl]-2-ethyl-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-1-(2,6-dimethoxybenzoyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-1-(2,6-dimethoxybenzoyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C33H36Cl2N2O5 MolecularWeight: 611.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=C(C=CC=C2OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=C(C=CC=C2OC)OC)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

InChI

InChI=1S/C33H36Cl2N2O5/c1-4-33(23-15-17-36-20-23)29(21-13-14-24(34)25(35)19-21)32(31(39)40,22-9-6-5-7-10-22)16-18-37(33)30(38)28-26(41-2)11-8-12-27(28)42-3/h5-14,19,23,29,36H,4,15-18,20H2,1-3H3,(H,39,40)