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

Systemtic Name: 6-methoxy-1-(4-methoxy-3-oxidanyl-phenyl)carbonyl-7-oxidanyl-isoquinoline-3-carboxylic acid Openeye Name: 7-hydroxy-1-(3-hydroxy-4-methoxy-benzoyl)-6-methoxy-isoquinoline-3-carboxylic acid CAS Name: 7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]-6-methoxy-3-isoquinolinecarboxylic acid IUPAC Name: 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid Traditional Name: 7-hydroxy-1-isovanilloyl-6-methoxy-isoquinoline-3-carboxylic acid Formula: C19H15NO7 MolecularWeight: 369.3249

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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)O)OC)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO7/c1-26-15-4-3-9(6-13(15)21)18(23)17-11-8-14(22)16(27-2)7-10(11)5-12(20-17)19(24)25/h3-8,21-22H,1-2H3,(H,24,25)