2-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]butanoic acid

Systemtic Name: 2-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]butanoic acid Openeye Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]butanoic acid CAS Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]butanoic acid IUPAC Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]butanoic acid Traditional Name: 2-[(1-keto-2H-isoquinolin-5-yl)oxy]butyric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC2=C1C=CNC2=O

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C13H13NO4/c1-2-10(13(16)17)18-11-5-3-4-9-8(11)6-7-14-12(9)15/h3-7,10H,2H2,1H3,(H,14,15)(H,16,17)