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

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 6,7-dihydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 6,7-dihydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 6,7-dihydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 6,7-dihydroxy-1-vanillyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-25-16-6-10(2-3-13(16)20)9-18(17(23)24)12-8-15(22)14(21)7-11(12)4-5-19-18/h2-3,6-8,19-22H,4-5,9H2,1H3,(H,23,24)