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

Systemtic Name: 4-(4-cyanophenyl)carbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(3-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-3-(3,4-dimethoxyphenyl)-2-methyl-5-(m-tolyl)-1-(2-thenoyl)proline Formula: C34H30N2O6S MolecularWeight: 594.6768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3=CC=CS3)(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)C3=CC=CS3)(C)C(=O)O)C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C34H30N2O6S/c1-20-7-5-8-24(17-20)30-28(31(37)22-12-10-21(19-35)11-13-22)29(23-14-15-25(41-3)26(18-23)42-4)34(2,33(39)40)36(30)32(38)27-9-6-16-43-27/h5-18,28-30H,1-4H3,(H,39,40)