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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-pyridin-3-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-(3-pyridyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-(3-pyridinyl)-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-pyridin-3-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-(3-pyridyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C33H37Cl2N3O6 MolecularWeight: 642.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H37Cl2N3O6/c1-5-33(23-10-13-37-19-23)29(20-8-9-24(34)25(35)15-20)32(31(40)41,22-7-6-12-36-18-22)11-14-38(33)30(39)21-16-26(42-2)28(44-4)27(17-21)43-3/h6-9,12,15-18,23,29,37H,5,10-11,13-14,19H2,1-4H3,(H,40,41)