6-[[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]methyl]oxan-2-one

Systemtic Name: 6-[[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]methyl]oxan-2-one Openeye Name: 6-[[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]methyl]tetrahydropyran-2-one CAS Name: 6-[[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridinyl]methyl]-2-oxanone IUPAC Name: 6-[[6-[(E)-3-hydroxyundec-5-en-1-ynyl]pyridin-2-yl]methyl]oxan-2-one Traditional Name: 6-[[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]methyl]tetrahydropyran-2-one Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=NC(=CC=C1)CC2CCCC(=O)O2)O

InChI

InChI=1S/C22H29NO3/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/h6-8,10-11,20-21,24H,2-5,9,12-14,17H2,1H3/b7-6+