2-[4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[4-(3-bromo-4,5-dimethoxy-phenyl)-3-carbomethoxy-1-keto-6,7-dimethoxy-2-isoquinolyl]acetic acid Formula: C23H22BrNO9 MolecularWeight: 536.32608

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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)CC(=O)O)C(=O)OC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO9/c1-30-15-8-12-13(9-16(15)31-2)22(28)25(10-18(26)27)20(23(29)34-5)19(12)11-6-14(24)21(33-4)17(7-11)32-3/h6-9H,10H2,1-5H3,(H,26,27)