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

Systemtic Name: methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-hydroxy-6-methoxy-1-veratryl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)OC)OC)O)OC

InChI

InChI=1S/C21H25NO6/c1-25-18-6-5-13(10-20(18)27-3)9-16-15-12-17(23)19(26-2)11-14(15)7-8-22(16)21(24)28-4/h5-6,10-12,16,23H,7-9H2,1-4H3