4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-2-methyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-2-methyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-2-methyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-3-(2-thienyl)proline Formula: C31H22ClFN2O4S MolecularWeight: 573.033783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C31H22ClFN2O4S/c1-31(30(38)39)26(24-6-3-15-40-24)25(28(36)21-4-2-5-22(32)16-21)27(19-9-7-18(17-34)8-10-19)35(31)29(37)20-11-13-23(33)14-12-20/h2-16,25-27H,1H3,(H,38,39)