4-(4-cyanophenyl)carbonyl-1-cyclopentylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)carbonyl-1-cyclopentylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-1-[cyclopentyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)proline Formula: C35H36N2O6 MolecularWeight: 580.67014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3CCCC3)(C)C(=O)O)C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3CCCC3)(C)C(=O)O)C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C35H36N2O6/c1-21-8-7-11-26(18-21)31-29(32(38)23-14-12-22(20-36)13-15-23)30(25-16-17-27(42-3)28(19-25)43-4)35(2,34(40)41)37(31)33(39)24-9-5-6-10-24/h7-8,11-19,24,29-31H,5-6,9-10H2,1-4H3,(H,40,41)