6,7-dimethoxy-1-(4-methoxy-3-oxidanyl-phenyl)carbonyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-(4-methoxy-3-oxidanyl-phenyl)carbonyl-isoquinoline-3-carboxylic acid Openeye Name: 1-(3-hydroxy-4-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-3-carboxylic acid CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-hydroxy-4-methoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylic acid Traditional Name: 1-isovanilloyl-6,7-dimethoxy-isoquinoline-3-carboxylic acid Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=NC(=CC3=CC(=C(C=C32)OC)OC)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=NC(=CC3=CC(=C(C=C32)OC)OC)C(=O)O)O

InChI

InChI=1S/C20H17NO7/c1-26-15-5-4-10(7-14(15)22)19(23)18-12-9-17(28-3)16(27-2)8-11(12)6-13(21-18)20(24)25/h4-9,22H,1-3H3,(H,24,25)