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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-dimethylaminophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-5-(4-dimethylaminophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-dimethylaminophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)proline Formula: C31H28ClN3O4S MolecularWeight: 574.08972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28ClN3O4S/c1-34(2)23-15-13-19(14-16-23)27-26(29(36)20-8-6-9-21(32)18-20)25(24-12-7-17-40-24)28(30(37)38)35(27)31(39)33-22-10-4-3-5-11-22/h3-18,25-28H,1-2H3,(H,33,39)(H,37,38)