3-[2-(5-cyano-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)phenoxy]-2-methyl-propanoic acid

Systemtic Name: 3-[2-(5-cyano-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)phenoxy]-2-methyl-propanoic acid Openeye Name: 3-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]-2-methyl-propanoic acid CAS Name: 3-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]-2-methylpropanoic acid IUPAC Name: 3-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]-2-methylpropanoic acid Traditional Name: 3-[2-(5-cyano-6-keto-2-methyl-1H-pyridin-3-yl)phenoxy]-2-methyl-propionic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2OCC(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2OCC(C)C(=O)O

InChI

InChI=1S/C17H16N2O4/c1-10(17(21)22)9-23-15-6-4-3-5-13(15)14-7-12(8-18)16(20)19-11(14)2/h3-7,10H,9H2,1-2H3,(H,19,20)(H,21,22)