4-oxidanylidene-4-[(3-phenylisoquinolin-4-yl)methoxy]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(3-phenylisoquinolin-4-yl)methoxy]butanoic acid Openeye Name: 4-oxo-4-[(3-phenyl-4-isoquinolyl)methoxy]butanoic acid CAS Name: 4-oxo-4-[(3-phenyl-4-isoquinolinyl)methoxy]butanoic acid IUPAC Name: 4-oxo-4-[(3-phenylisoquinolin-4-yl)methoxy]butanoic acid Traditional Name: 4-keto-4-[(3-phenyl-4-isoquinolyl)methoxy]butyric acid Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)CCC(=O)O

InChI

InChI=1S/C20H17NO4/c22-18(23)10-11-19(24)25-13-17-16-9-5-4-8-15(16)12-21-20(17)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,22,23)