2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxybutanoic acid

Systemtic Name: 2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxybutanoic acid Openeye Name: 2-[(2-methyl-1-oxo-5-isoquinolyl)oxy]butanoic acid CAS Name: 2-[(2-methyl-1-oxo-5-isoquinolinyl)oxy]butanoic acid IUPAC Name: 2-(2-methyl-1-oxoisoquinolin-5-yl)oxybutanoic acid Traditional Name: 2-[(1-keto-2-methyl-5-isoquinolyl)oxy]butyric acid Formula: C14H15NO4 MolecularWeight: 261.2732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)C

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)C

InChI

InChI=1S/C14H15NO4/c1-3-11(14(17)18)19-12-6-4-5-10-9(12)7-8-15(2)13(10)16/h4-8,11H,3H2,1-2H3,(H,17,18)