1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-vanillyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)O

InChI

InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3