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

Systemtic Name: methyl 1-[(2-bromanyl-3,4-dimethoxy-phenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-[(2-bromo-3,4-dimethoxy-phenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-3,4-dimethoxy-benzyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO6/c1-26-17-6-5-13(19(22)20(17)28-3)9-15-14-11-16(24)18(27-2)10-12(14)7-8-23(15)21(25)29-4/h5-6,10-11,15,24H,7-9H2,1-4H3