methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-methoxypropyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-methoxypropyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(3-methoxypropyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(3-methoxypropyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(3-methoxypropyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(3-methoxypropyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H28BrNO8 MolecularWeight: 550.39572

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC

Isomeric SMILES

COCCCN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C25H28BrNO8/c1-30-9-7-8-27-22(25(29)35-6)21(14-10-17(26)23(34-5)20(11-14)33-4)15-12-18(31-2)19(32-3)13-16(15)24(27)28/h10-13H,7-9H2,1-6H3