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

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

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

InChI

InChI=1S/C22H29NO3/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/h7-10,12,17-19,24H,3-6,11,13,15H2,1-2H3/b8-7+