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

Systemtic Name: 2-ethyl-4-phenyl-3-pyridin-3-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 2-ethyl-4-phenyl-3-(3-pyridyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 2-ethyl-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenyl-3-(3-pyridinyl)-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-4-phenyl-3-pyridin-3-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 2-ethyl-4-phenyl-3-(3-pyridyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C33H39N3O6 MolecularWeight: 573.67926

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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=CN=CC=C4)C5CCNC5

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3O6/c1-5-33(25-13-16-35-21-25)29(22-10-9-15-34-20-22)32(31(38)39,24-11-7-6-8-12-24)14-17-36(33)30(37)23-18-26(40-2)28(42-4)27(19-23)41-3/h6-12,15,18-20,25,29,35H,5,13-14,16-17,21H2,1-4H3,(H,38,39)