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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)(C)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)(C)C(=O)O)C5=CC=C(C=C5)F

InChI

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