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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C31H26ClN3O6S MolecularWeight: 604.07264

Click to see the large picture

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(=CC=C5)[N+](=O)[O-]

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(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26ClN3O6S/c1-18-7-3-11-22(15-18)33-30(39)34-27(19-8-5-12-23(17-19)35(40)41)25(28(36)20-9-4-10-21(32)16-20)26(24-13-6-14-42-24)31(34,2)29(37)38/h3-17,25-27H,1-2H3,(H,33,39)(H,37,38)