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

Systemtic Name: methyl 2-(2-azanylhexyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-aminohexyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(2-aminohexyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-aminohexyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(2-aminohexyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C27H33BrN2O7 MolecularWeight: 577.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC)N

Isomeric SMILES

CCCCC(CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC)N

InChI

InChI=1S/C27H33BrN2O7/c1-7-8-9-16(29)14-30-24(27(32)37-6)23(15-10-19(28)25(36-5)22(11-15)35-4)17-12-20(33-2)21(34-3)13-18(17)26(30)31/h10-13,16H,7-9,14,29H2,1-6H3