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

Systemtic Name: 2-ethyl-3-(2-fluorophenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 2-ethyl-3-(2-fluorophenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 2-ethyl-3-(2-fluorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-3-(2-fluorophenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 2-ethyl-3-(2-fluorophenyl)-4-phenyl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C34H39FN2O6 MolecularWeight: 590.681663

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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=CC=C4F)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=CC=C4F)C5CCNC5

InChI

InChI=1S/C34H39FN2O6/c1-5-34(24-15-17-36-21-24)30(25-13-9-10-14-26(25)35)33(32(39)40,23-11-7-6-8-12-23)16-18-37(34)31(38)22-19-27(41-2)29(43-4)28(20-22)42-3/h6-14,19-20,24,30,36H,5,15-18,21H2,1-4H3,(H,39,40)