4-(3-chlorophenyl)carbonyl-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-2-methyl-5-(m-tolyl)-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-2-methyl-5-(m-tolyl)-1-(phenylcarbamoyl)-3-(2-thienyl)proline Formula: C31H27ClN2O4S MolecularWeight: 559.07508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H27ClN2O4S/c1-19-9-6-10-20(17-19)27-25(28(35)21-11-7-12-22(32)18-21)26(24-15-8-16-39-24)31(2,29(36)37)34(27)30(38)33-23-13-4-3-5-14-23/h3-18,25-27H,1-2H3,(H,33,38)(H,36,37)