3-(3-phenylisoquinolin-1-yl)propanoic acid

Systemtic Name: 3-(3-phenylisoquinolin-1-yl)propanoic acid Openeye Name: 3-(3-phenyl-1-isoquinolyl)propanoic acid CAS Name: 3-(3-phenyl-1-isoquinolinyl)propanoic acid IUPAC Name: 3-(3-phenylisoquinolin-1-yl)propanoic acid Traditional Name: 3-(3-phenyl-1-isoquinolyl)propionic acid Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)CCC(=O)O

InChI

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