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

Systemtic Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-5-(m-tolyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-5-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-2-methyl-5-(m-tolyl)-4-(2-thenoyl)proline Formula: C32H25FN2O4S MolecularWeight: 552.615303

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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=C(C=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)C3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H25FN2O4S/c1-19-5-3-6-23(17-19)28-26(29(36)25-7-4-16-40-25)27(21-10-8-20(18-34)9-11-21)32(2,31(38)39)35(28)30(37)22-12-14-24(33)15-13-22/h3-17,26-28H,1-2H3,(H,38,39)