phenacyl 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,6-dimethylanilino)-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-(2,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,6-dimethylanilino)-4-keto-butyric acid phenacyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO4/c1-14-7-6-8-15(2)20(14)21-18(23)11-12-19(24)25-13-17(22)16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,21,23)