4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanoic acid

Systemtic Name: 4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanoic acid Openeye Name: 4-(2-methyl-1-oxo-3-isoquinolyl)butanoic acid CAS Name: 4-(2-methyl-1-oxo-3-isoquinolinyl)butanoic acid IUPAC Name: 4-(2-methyl-1-oxoisoquinolin-3-yl)butanoic acid Traditional Name: 4-(1-keto-2-methyl-3-isoquinolyl)butyric acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)CCCC(=O)O

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)CCCC(=O)O

InChI

InChI=1S/C14H15NO3/c1-15-11(6-4-8-13(16)17)9-10-5-2-3-7-12(10)14(15)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17)