1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one

Systemtic Name: 1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Openeye Name: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Traditional Name: 1-(3-hydroxy-4-methoxy-benzyl)-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3CCC(=O)C=C3CCN2)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3CCC(=O)C=C3CCN2)O

InChI

InChI=1S/C17H21NO3/c1-21-17-5-2-11(9-16(17)20)8-15-14-4-3-13(19)10-12(14)6-7-18-15/h2,5,9-10,14-15,18,20H,3-4,6-8H2,1H3