5-(4-cyanophenyl)-4-(4-methylphenyl)carbonyl-1-(phenylcarbonyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-4-(4-methylphenyl)carbonyl-1-(phenylcarbonyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzoyl-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-benzoyl-5-(4-cyanophenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzoyl-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-benzoyl-5-(4-cyanophenyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C31H24N2O4S MolecularWeight: 520.59826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H24N2O4S/c1-19-9-13-22(14-10-19)29(34)26-25(24-8-5-17-38-24)28(31(36)37)33(30(35)23-6-3-2-4-7-23)27(26)21-15-11-20(18-32)12-16-21/h2-17,25-28H,1H3,(H,36,37)