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

Systemtic Name: 4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)proline Formula: C36H38N2O6 MolecularWeight: 594.69672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3CCCCC3)(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)C3CCCCC3)(C)C(=O)O)C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C36H38N2O6/c1-22-9-8-12-27(19-22)32-30(33(39)24-15-13-23(21-37)14-16-24)31(26-17-18-28(43-3)29(20-26)44-4)36(2,35(41)42)38(32)34(40)25-10-6-5-7-11-25/h8-9,12-20,25,30-32H,5-7,10-11H2,1-4H3,(H,41,42)