1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C28H31N2O10P MolecularWeight: 586.526901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

InChI

InChI=1S/C20H21NO4.C8H10NO6P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h5-8,10-12H,9H2,1-4H3;2-3,11H,4H2,1H3,(H2,12,13,14)