[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] ethanoate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] ethanoate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] acetate CAS Name: acetic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] acetate Traditional Name: acetic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C18H15NO3 MolecularWeight: 293.3166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H15NO3/c1-12(20)22-15-6-4-5-13(10-15)9-14-11-19-18(21)17-8-3-2-7-16(14)17/h2-8,10-11H,9H2,1H3,(H,19,21)