4-[[(1S)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(1S)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol Openeye Name: 4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol CAS Name: 4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol IUPAC Name: 4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol Traditional Name: 4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]pyrocatechol Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3)O)O)O

Isomeric SMILES

COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/t13-/m0/s1