4-[2-(5-cyano-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-(5-cyano-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)phenoxy]butanoic acid Openeye Name: 4-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]butanoic acid CAS Name: 4-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]butanoic acid Traditional Name: 4-[2-(5-cyano-6-keto-2-methyl-1H-pyridin-3-yl)phenoxy]butyric acid Formula: C17H16N2O4 MolecularWeight: 312.31994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2OCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2OCCCC(=O)O

InChI

InChI=1S/C17H16N2O4/c1-11-14(9-12(10-18)17(22)19-11)13-5-2-3-6-15(13)23-8-4-7-16(20)21/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,22)(H,20,21)