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

Systemtic Name: methyl 2-(2-azanylethyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-aminoethyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(2-aminoethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-aminoethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(2-aminoethyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C23H25BrN2O7 MolecularWeight: 521.3578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCN)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCN)C(=O)OC)Br)OC

InChI

InChI=1S/C23H25BrN2O7/c1-29-16-10-13-14(11-17(16)30-2)22(27)26(7-6-25)20(23(28)33-5)19(13)12-8-15(24)21(32-4)18(9-12)31-3/h8-11H,6-7,25H2,1-5H3