1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one

Systemtic Name: 1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one Openeye Name: 7-hydroxy-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3,4-dihydro-2H-isoquinolin-6-one CAS Name: 7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-6-one IUPAC Name: 7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-6-one Traditional Name: 7-hydroxy-1-(3-hydroxy-4-methoxy-benzyl)-3,4-dihydro-2H-isoquinolin-6-one Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C3C=C(C(=O)C=C3CCN2)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C3C=C(C(=O)C=C3CCN2)O)O

InChI

InChI=1S/C17H17NO4/c1-22-17-3-2-10(7-16(17)21)6-13-12-9-15(20)14(19)8-11(12)4-5-18-13/h2-3,7-9,18,20-21H,4-6H2,1H3