2-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanoic acid

Systemtic Name: 2-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanoic acid Openeye Name: 2-(2-methyl-1-oxo-3-isoquinolyl)butanoic acid CAS Name: 2-(2-methyl-1-oxo-3-isoquinolinyl)butanoic acid IUPAC Name: 2-(2-methyl-1-oxoisoquinolin-3-yl)butanoic acid Traditional Name: 2-(1-keto-2-methyl-3-isoquinolyl)butyric acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=CC=CC=C2C(=O)N1C)C(=O)O

Isomeric SMILES

CCC(C1=CC2=CC=CC=C2C(=O)N1C)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-3-10(14(17)18)12-8-9-6-4-5-7-11(9)13(16)15(12)2/h4-8,10H,3H2,1-2H3,(H,17,18)