3-[2-(hydroxymethyl)-4-methoxy-phenyl]-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(hydroxymethyl)-4-methoxy-phenyl]-2H-isoquinolin-1-one Openeye Name: 3-[2-(hydroxymethyl)-4-methoxy-phenyl]-2H-isoquinolin-1-one CAS Name: 3-[2-(hydroxymethyl)-4-methoxyphenyl]-2H-isoquinolin-1-one IUPAC Name: 3-[2-(hydroxymethyl)-4-methoxyphenyl]-2H-isoquinolin-1-one Traditional Name: 3-(4-methoxy-2-methylol-phenyl)isocarbostyril Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C(=O)N2)CO

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C(=O)N2)CO

InChI

InChI=1S/C17H15NO3/c1-21-13-6-7-14(12(8-13)10-19)16-9-11-4-2-3-5-15(11)17(20)18-16/h2-9,19H,10H2,1H3,(H,18,20)