[3-(2-methylpropanoyl)-4-oxidanylidene-1H-quinolin-8-yl]methyl benzoate

Systemtic Name: [3-(2-methylpropanoyl)-4-oxidanylidene-1H-quinolin-8-yl]methyl benzoate Openeye Name: [3-(2-methylpropanoyl)-4-oxo-1H-quinolin-8-yl]methyl benzoate CAS Name: benzoic acid [3-(2-methyl-1-oxopropyl)-4-oxo-1H-quinolin-8-yl]methyl ester IUPAC Name: [3-(2-methylpropanoyl)-4-oxo-1H-quinolin-8-yl]methyl benzoate Traditional Name: benzoic acid (3-isobutyryl-4-keto-1H-quinolin-8-yl)methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CNC2=C(C1=O)C=CC=C2COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)C1=CNC2=C(C1=O)C=CC=C2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4/c1-13(2)19(23)17-11-22-18-15(9-6-10-16(18)20(17)24)12-26-21(25)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,22,24)