2-(3-ethyl-1-phenyl-isoquinolin-5-yl)ethanoate

Systemtic Name: 2-(3-ethyl-1-phenyl-isoquinolin-5-yl)ethanoate Openeye Name: 2-(3-ethyl-1-phenyl-5-isoquinolyl)acetate CAS Name: 2-(3-ethyl-1-phenyl-5-isoquinolinyl)acetate IUPAC Name: 2-(3-ethyl-1-phenylisoquinolin-5-yl)acetate Traditional Name: 2-(3-ethyl-1-phenyl-5-isoquinolyl)acetate Formula: C19H16NO2- MolecularWeight: 290.33584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17NO2/c1-2-15-12-17-14(11-18(21)22)9-6-10-16(17)19(20-15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,21,22)/p-1