2-(1-ethylisoquinolin-3-yl)ethanoate

Systemtic Name: 2-(1-ethylisoquinolin-3-yl)ethanoate Openeye Name: 2-(1-ethyl-3-isoquinolyl)acetate CAS Name: 2-(1-ethyl-3-isoquinolinyl)acetate IUPAC Name: 2-(1-ethylisoquinolin-3-yl)acetate Traditional Name: 2-(1-ethyl-3-isoquinolyl)acetate Formula: C13H12NO2- MolecularWeight: 214.23988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC2=CC=CC=C21)CC(=O)[O-]

Isomeric SMILES

CCC1=NC(=CC2=CC=CC=C21)CC(=O)[O-]

InChI

InChI=1S/C13H13NO2/c1-2-12-11-6-4-3-5-9(11)7-10(14-12)8-13(15)16/h3-7H,2,8H2,1H3,(H,15,16)/p-1