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

Systemtic Name: 7-methoxy-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6-oxidanyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 6-hydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 6-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 6-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 6-hydroxy-7-methoxy-1-vanillyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid 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)OC)C(=O)O)O

Isomeric SMILES

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

InChI

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