2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoic acid

Systemtic Name: 2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoic acid Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]acetic acid CAS Name: 2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]acetic acid IUPAC Name: 2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetic acid Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]acetic acid Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)O

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)O

InChI

InChI=1S/C14H13NO4/c1-2-7-15-8-6-10-11(14(15)18)4-3-5-12(10)19-9-13(16)17/h2-6,8H,1,7,9H2,(H,16,17)