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

Systemtic Name: 2-[3-[4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[3-[4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxo-2-isoquinolyl]phenoxy]acetic acid CAS Name: 2-[3-[4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxo-2-isoquinolinyl]phenoxy]acetic acid IUPAC Name: 2-[3-[4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3-methoxycarbonyl-1-oxoisoquinolin-2-yl]phenoxy]acetic acid Traditional Name: 2-[3-[4-(3-bromo-4,5-dimethoxy-phenyl)-3-carbomethoxy-1-keto-6,7-dimethoxy-2-isoquinolyl]phenoxy]acetic acid Formula: C29H26BrNO10 MolecularWeight: 628.42144

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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)C4=CC(=CC=C4)OCC(=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)C4=CC(=CC=C4)OCC(=O)O)C(=O)OC)Br)OC

InChI

InChI=1S/C29H26BrNO10/c1-36-21-12-18-19(13-22(21)37-2)28(34)31(16-7-6-8-17(11-16)41-14-24(32)33)26(29(35)40-5)25(18)15-9-20(30)27(39-4)23(10-15)38-3/h6-13H,14H2,1-5H3,(H,32,33)