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

Systemtic Name: 2-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]hexanoic acid Openeye Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]hexanoic acid CAS Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]hexanoic acid IUPAC Name: 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]hexanoic acid Traditional Name: 2-[(1-keto-2H-isoquinolin-5-yl)oxy]hexanoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-2-3-6-13(15(18)19)20-12-7-4-5-11-10(12)8-9-16-14(11)17/h4-5,7-9,13H,2-3,6H2,1H3,(H,16,17)(H,18,19)