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

Systemtic Name: 1-[(4-methylphenyl)carbamoyl]-4-(4-methylphenyl)carbonyl-5-phenyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-methylbenzoyl)-5-phenyl-1-(p-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-methylanilino)-oxomethyl]-4-[(4-methylphenyl)-oxomethyl]-5-phenyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylbenzoyl)-1-[(4-methylphenyl)carbamoyl]-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-phenyl-4-p-toluoyl-1-(p-tolylcarbamoyl)-3-(2-thienyl)proline Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H28N2O4S/c1-19-10-14-22(15-11-19)29(34)26-25(24-9-6-18-38-24)28(30(35)36)33(27(26)21-7-4-3-5-8-21)31(37)32-23-16-12-20(2)13-17-23/h3-18,25-28H,1-2H3,(H,32,37)(H,35,36)