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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(4-fluorophenyl)carbonyl-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(4-fluorobenzoyl)-2-methyl-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(4-fluorophenyl)-oxomethyl]-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(4-fluorobenzoyl)-2-methyl-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(4-fluorobenzoyl)-2-methyl-5-(m-tolyl)-3-(2-thienyl)proline Formula: C31H25ClFNO4S MolecularWeight: 562.050903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H25ClFNO4S/c1-18-6-3-7-20(16-18)27-25(28(35)21-8-4-9-22(32)17-21)26(24-10-5-15-39-24)31(2,30(37)38)34(27)29(36)19-11-13-23(33)14-12-19/h3-17,25-27H,1-2H3,(H,37,38)