methyl 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinoline-1-carboxylate

Systemtic Name: methyl 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinoline-1-carboxylate Openeye Name: methyl 6,7-dihydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylate CAS Name: 6,7-dihydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 6,7-dihydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylate Traditional Name: 6,7-dihydroxy-1-vanillyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid methyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2(C3=CC(=C(C=C3CCN2)O)O)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC2(C3=CC(=C(C=C3CCN2)O)O)C(=O)OC)O

InChI

InChI=1S/C19H21NO6/c1-25-17-7-11(3-4-14(17)21)10-19(18(24)26-2)13-9-16(23)15(22)8-12(13)5-6-20-19/h3-4,7-9,20-23H,5-6,10H2,1-2H3