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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-2-pyrrolidin-3-yl-4-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-2-pyrrolidin-3-yl-4-(2-thienyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-(3-pyrrolidinyl)-4-thiophen-2-yl-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-2-pyrrolidin-3-yl-4-thiophen-2-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-2-pyrrolidin-3-yl-4-(2-thienyl)-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C32H36Cl2N2O6S MolecularWeight: 647.60904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CS3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CS3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

InChI

InChI=1S/C32H36Cl2N2O6S/c1-5-32(21-10-12-35-18-21)28(19-8-9-22(33)23(34)15-19)31(30(38)39,26-7-6-14-43-26)11-13-36(32)29(37)20-16-24(40-2)27(42-4)25(17-20)41-3/h6-9,14-17,21,28,35H,5,10-13,18H2,1-4H3,(H,38,39)