[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C21H17NO4/c1-14-8-10-15(11-9-14)20(24)16-5-2-3-6-17(16)21(25)26-13-19(23)18-7-4-12-22-18/h2-12,22H,13H2,1H3