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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1(CCC(C(=O)O1)C)C2=CC=CC=N2)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1(CCC(C(=O)O1)C)C2=CC=CC=N2)O

InChI

InChI=1S/C22H31NO3/c1-3-4-5-6-7-8-11-19(24)14-16-22(20-12-9-10-17-23-20)15-13-18(2)21(25)26-22/h7-10,12,14,16-19,24H,3-6,11,13,15H2,1-2H3/b8-7+,16-14+