6,7-dimethoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid Openeye Name: 6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid CAS Name: 6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid IUPAC Name: 6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid Traditional Name: 1-keto-6,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2H-isoquinoline-3-carboxylic acid Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(NC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(NC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C21H21NO8/c1-26-13-8-11-12(9-14(13)27-2)20(23)22-18(21(24)25)17(11)10-6-15(28-3)19(30-5)16(7-10)29-4/h6-9H,1-5H3,(H,22,23)(H,24,25)