[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C27H27NO6 MolecularWeight: 461.50638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C27H27NO6/c1-4-32-23-15-14-20(16-24(23)33-5-2)28-25(29)17-34-27(31)22-9-7-6-8-21(22)26(30)19-12-10-18(3)11-13-19/h6-16H,4-5,17H2,1-3H3,(H,28,29)