(6-methyl-5-oxidanyl-pyridin-3-yl)methyl pentanoate

Systemtic Name: (6-methyl-5-oxidanyl-pyridin-3-yl)methyl pentanoate Openeye Name: (5-hydroxy-6-methyl-3-pyridyl)methyl pentanoate CAS Name: pentanoic acid (5-hydroxy-6-methyl-3-pyridinyl)methyl ester IUPAC Name: (5-hydroxy-6-methylpyridin-3-yl)methyl pentanoate Traditional Name: valeric acid (5-hydroxy-6-methyl-3-pyridyl)methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=CC(=C(N=C1)C)O

Isomeric SMILES

CCCCC(=O)OCC1=CC(=C(N=C1)C)O

InChI

InChI=1S/C12H17NO3/c1-3-4-5-12(15)16-8-10-6-11(14)9(2)13-7-10/h6-7,14H,3-5,8H2,1-2H3