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

Systemtic Name: 5-(4-cyanophenyl)-1-[(3-methylphenyl)carbamoyl]-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-(4-methylbenzoyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[(3-methylanilino)-oxomethyl]-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-(4-methylbenzoyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(m-tolylcarbamoyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C32H27N3O4S MolecularWeight: 549.63948

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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)NC4=CC=CC(=C4)C)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)NC4=CC=CC(=C4)C)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C32H27N3O4S/c1-19-8-12-23(13-9-19)30(36)27-26(25-7-4-16-40-25)29(31(37)38)35(28(27)22-14-10-21(18-33)11-15-22)32(39)34-24-6-3-5-20(2)17-24/h3-17,26-29H,1-2H3,(H,34,39)(H,37,38)