3,5-bis(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-chlorophenyl)-2-methyl-1-(m-tolylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-chlorophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-chlorophenyl)-2-methyl-1-(m-tolylcarbamoyl)-4-(2-thenoyl)proline Formula: C31H26Cl2N2O4S MolecularWeight: 593.52014

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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=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H26Cl2N2O4S/c1-18-5-3-6-23(17-18)34-30(39)35-27(20-10-14-22(33)15-11-20)25(28(36)24-7-4-16-40-24)26(31(35,2)29(37)38)19-8-12-21(32)13-9-19/h3-17,25-27H,1-2H3,(H,34,39)(H,37,38)