2-(1-ethylisoquinolin-3-yl)ethanoic acid

Systemtic Name: 2-(1-ethylisoquinolin-3-yl)ethanoic acid Openeye Name: 2-(1-ethyl-3-isoquinolyl)acetic acid CAS Name: 2-(1-ethyl-3-isoquinolinyl)acetic acid IUPAC Name: 2-(1-ethylisoquinolin-3-yl)acetic acid Traditional Name: 2-(1-ethyl-3-isoquinolyl)acetic acid Formula: C13H13NO2 MolecularWeight: 215.24782

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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)