2-[2-(7,8-dimethoxy-1-oxidanylidene-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-(7,8-dimethoxy-1-oxidanylidene-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-[2-(7,8-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]acetic acid CAS Name: 2-[2-(7,8-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-[2-(7,8-dimethoxy-1-oxo-2H-isoquinolin-3-yl)-4,5-dimethoxyphenyl]acetic acid Traditional Name: 2-[2-(1-keto-7,8-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(C2=C(C=C1)C=C(NC2=O)C3=CC(=C(C=C3CC(=O)O)OC)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(NC2=O)C3=CC(=C(C=C3CC(=O)O)OC)OC)OC

InChI

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