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

Systemtic Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(m-tolyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(m-tolyl)-4-(2-thenoyl)proline Formula: C32H26FN3O4S MolecularWeight: 567.629943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=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)NC3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H26FN3O4S/c1-19-5-3-6-22(17-19)28-26(29(37)25-7-4-16-41-25)27(21-10-8-20(18-34)9-11-21)32(2,30(38)39)36(28)31(40)35-24-14-12-23(33)13-15-24/h3-17,26-28H,1-2H3,(H,35,40)(H,38,39)