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

Systemtic Name: methanol; methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-(1-hydroxyethyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methanol; methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(1-hydroxyethyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-(1-hydroxyethyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester; methanol IUPAC Name: methanol; methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-(1-hydroxyethyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(1-hydroxyethyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester; methanol Formula: C24H28BrNO9 MolecularWeight: 554.38442

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC)O.CO

Isomeric SMILES

CC(N1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC)O.CO

InChI

InChI=1S/C23H24BrNO8.CH4O/c1-11(26)25-20(23(28)33-6)19(12-7-15(24)21(32-5)18(8-12)31-4)13-9-16(29-2)17(30-3)10-14(13)22(25)27;1-2/h7-11,26H,1-6H3;2H,1H3