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

Systemtic Name: 3-(4-cyanophenyl)-1-cyclopentylcarbonyl-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-5-(m-tolyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[cyclopentyl(oxo)methyl]-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-5-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-2-methyl-5-(m-tolyl)-4-(2-thenoyl)proline Formula: C31H30N2O4S MolecularWeight: 526.6459

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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)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3CCCC3)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H30N2O4S/c1-19-7-5-10-23(17-19)27-25(28(34)24-11-6-16-38-24)26(21-14-12-20(18-32)13-15-21)31(2,30(36)37)33(27)29(35)22-8-3-4-9-22/h5-7,10-17,22,25-27H,3-4,8-9H2,1-2H3,(H,36,37)