3-(1-phenylisoquinolin-3-yl)propanoate

Systemtic Name: 3-(1-phenylisoquinolin-3-yl)propanoate Openeye Name: 3-(1-phenyl-3-isoquinolyl)propanoate CAS Name: 3-(1-phenyl-3-isoquinolinyl)propanoate IUPAC Name: 3-(1-phenylisoquinolin-3-yl)propanoate Traditional Name: 3-(1-phenyl-3-isoquinolyl)propionate Formula: C18H14NO2- MolecularWeight: 276.30926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C32)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C32)CCC(=O)[O-]

InChI

InChI=1S/C18H15NO2/c20-17(21)11-10-15-12-14-8-4-5-9-16(14)18(19-15)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21)/p-1