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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-dimethylaminophenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-dimethylaminophenyl)-1-[(3-methylanilino)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)proline Formula: C32H30ClN3O4S MolecularWeight: 588.1163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C32H30ClN3O4S/c1-19-7-4-10-23(17-19)34-32(40)36-28(20-12-14-24(15-13-20)35(2)3)27(30(37)21-8-5-9-22(33)18-21)26(29(36)31(38)39)25-11-6-16-41-25/h4-18,26-29H,1-3H3,(H,34,40)(H,38,39)