4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-(m-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-(m-tolylcarbamoyl)-3-(2-thienyl)proline Formula: C32H26ClN3O4S MolecularWeight: 584.08454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H26ClN3O4S/c1-19-6-3-9-24(16-19)35-31(40)36-28(21-13-11-20(18-34)12-14-21)26(29(37)22-7-4-8-23(33)17-22)27(25-10-5-15-41-25)32(36,2)30(38)39/h3-17,26-28H,1-2H3,(H,35,40)(H,38,39)