4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoic acid

Systemtic Name: 4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoic acid Openeye Name: 4-(6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoic acid CAS Name: 4-(6,7-dimethoxy-1-oxo-2-isoquinolinyl)butanoic acid IUPAC Name: 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)butanoic acid Traditional Name: 4-(1-keto-6,7-dimethoxy-2-isoquinolyl)butyric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)O)OC

InChI

InChI=1S/C15H17NO5/c1-20-12-8-10-5-7-16(6-3-4-14(17)18)15(19)11(10)9-13(12)21-2/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)