2-(3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl)oxyethanoic acid

Systemtic Name: 2-(3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl)oxyethanoic acid Openeye Name: 2-[(3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolyl)oxy]acetic acid CAS Name: 2-[(3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolinyl)oxy]acetic acid IUPAC Name: 2-(3-cyano-2-methyl-1-oxo-4-phenylisoquinolin-6-yl)oxyacetic acid Traditional Name: 2-[(3-cyano-1-keto-2-methyl-4-phenyl-6-isoquinolyl)oxy]acetic acid Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)O)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H14N2O4/c1-21-16(10-20)18(12-5-3-2-4-6-12)15-9-13(25-11-17(22)23)7-8-14(15)19(21)24/h2-9H,11H2,1H3,(H,22,23)