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

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylphenyl)carbonyl-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-5-(4-cyanophenyl)-2-methyl-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-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/c1-20-10-14-23(15-11-20)29(36)26-27(25-9-6-18-40-25)32(2,30(37)38)35(31(39)34-24-7-4-3-5-8-24)28(26)22-16-12-21(19-33)13-17-22/h3-18,26-28H,1-2H3,(H,34,39)(H,37,38)