2-(1-phenylisoquinolin-5-yl)ethanoate

Systemtic Name: 2-(1-phenylisoquinolin-5-yl)ethanoate Openeye Name: 2-(1-phenyl-5-isoquinolyl)acetate CAS Name: 2-(1-phenyl-5-isoquinolinyl)acetate IUPAC Name: 2-(1-phenylisoquinolin-5-yl)acetate Traditional Name: 2-(1-phenyl-5-isoquinolyl)acetate Formula: C17H12NO2- MolecularWeight: 262.28268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)[O-]

InChI

InChI=1S/C17H13NO2/c19-16(20)11-13-7-4-8-15-14(13)9-10-18-17(15)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20)/p-1