3-(2-ethyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoic acid

Systemtic Name: 3-(2-ethyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoic acid Openeye Name: 3-(2-ethyl-1-oxo-3-phenyl-4-isoquinolyl)propanoic acid CAS Name: 3-(2-ethyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoic acid IUPAC Name: 3-(2-ethyl-1-oxo-3-phenylisoquinolin-4-yl)propanoic acid Traditional Name: 3-(2-ethyl-1-keto-3-phenyl-4-isoquinolyl)propionic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-2-21-19(14-8-4-3-5-9-14)16(12-13-18(22)23)15-10-6-7-11-17(15)20(21)24/h3-11H,2,12-13H2,1H3,(H,22,23)