6-[[6-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]methyl]oxan-2-one

Systemtic Name: 6-[[6-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]methyl]oxan-2-one Openeye Name: 6-[[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]methyl]tetrahydropyran-2-one CAS Name: 6-[[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]methyl]-2-oxanone IUPAC Name: 6-[[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]methyl]oxan-2-one Traditional Name: 6-[[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]methyl]tetrahydropyran-2-one Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=NC(=CC=C1)CC2CCCC(=O)O2)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=NC(=CC=C1)CC2CCCC(=O)O2)O

InChI

InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-12-20(24)16-15-18-10-8-11-19(23-18)17-21-13-9-14-22(25)26-21/h6-8,10-11,15-16,20-21,24H,2-5,9,12-14,17H2,1H3/b7-6+,16-15+