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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C36H44N2O8 MolecularWeight: 632.74316

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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=CC=C3)C(=O)O)C4=CC(=C(C=C4)OC)OC)C5CCNC5

Isomeric SMILES

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

InChI

InChI=1S/C36H44N2O8/c1-7-36(26-15-17-37-22-26)32(23-13-14-27(42-2)28(19-23)43-3)35(34(40)41,25-11-9-8-10-12-25)16-18-38(36)33(39)24-20-29(44-4)31(46-6)30(21-24)45-5/h8-14,19-21,26,32,37H,7,15-18,22H2,1-6H3,(H,40,41)