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

Systemtic Name: 5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-1-(phenylcarbonyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzoyl-4-(4-methylbenzoyl)-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-benzoyl-5-(3-methylphenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzoyl-4-(4-methylbenzoyl)-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-benzoyl-5-(m-tolyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C31H27NO4S MolecularWeight: 509.61538

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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)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(=CC=C3)C)C(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H27NO4S/c1-19-13-15-21(16-14-19)29(33)26-25(24-12-7-17-37-24)28(31(35)36)32(30(34)22-9-4-3-5-10-22)27(26)23-11-6-8-20(2)18-23/h3-18,25-28H,1-2H3,(H,35,36)