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

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] cyclobutanecarboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OC2=CC=CC(=C2)CC3=CNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC(C1)C(=O)OC2=CC=CC(=C2)CC3=CNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19NO3/c23-20-19-10-2-1-9-18(19)16(13-22-20)11-14-5-3-8-17(12-14)25-21(24)15-6-4-7-15/h1-3,5,8-10,12-13,15H,4,6-7,11H2,(H,22,23)