methyl 4-[(1-oxidanylideneisoquinolin-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(1-oxidanylideneisoquinolin-2-yl)methyl]benzoate Openeye Name: methyl 4-[(1-oxo-2-isoquinolyl)methyl]benzoate CAS Name: 4-[(1-oxo-2-isoquinolinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-oxoisoquinolin-2-yl)methyl]benzoate Traditional Name: 4-[(1-keto-2-isoquinolyl)methyl]benzoic acid methyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CC3=CC=CC=C3C2=O

InChI

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