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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-triethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-triethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-1-[oxo-(3,4,5-triethoxyphenyl)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-triethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-triethoxybenzoyl)isonipecotic acid Formula: C39H50N2O8 MolecularWeight: 674.8229

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H50N2O8/c1-7-39(29-18-20-40-25-29)35(26-16-17-30(45-5)31(22-26)46-6)38(37(43)44,28-14-12-11-13-15-28)19-21-41(39)36(42)27-23-32(47-8-2)34(49-10-4)33(24-27)48-9-3/h11-17,22-24,29,35,40H,7-10,18-21,25H2,1-6H3,(H,43,44)