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

Systemtic Name: 2-[2-(6,7-dimethoxy-1-oxidanylidene-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-[2-(6,7-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]acetic acid CAS Name: 2-[2-(6,7-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-[2-(6,7-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxyphenyl]acetic acid Traditional Name: 2-[2-(1-keto-6,7-dimethoxy-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]acetic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CC(=C(C=C3CC(=O)O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CC(=C(C=C3CC(=O)O)OC)OC)OC

InChI

InChI=1S/C21H21NO7/c1-26-16-6-11-5-15(22-21(25)14(11)10-19(16)29-4)13-9-18(28-3)17(27-2)7-12(13)8-20(23)24/h5-7,9-10H,8H2,1-4H3,(H,22,25)(H,23,24)