3-methyl-5-[(E)-3-oxidanylundec-5-en-1-ynyl]-4-pyridin-2-yl-oxan-2-one

Systemtic Name: 3-methyl-5-[(E)-3-oxidanylundec-5-en-1-ynyl]-4-pyridin-2-yl-oxan-2-one Openeye Name: 5-[(E)-3-hydroxyundec-5-en-1-ynyl]-3-methyl-4-(2-pyridyl)tetrahydropyran-2-one CAS Name: 5-[(E)-3-hydroxyundec-5-en-1-ynyl]-3-methyl-4-(2-pyridinyl)-2-oxanone IUPAC Name: 5-[(E)-3-hydroxyundec-5-en-1-ynyl]-3-methyl-4-pyridin-2-yloxan-2-one Traditional Name: 5-[(E)-3-hydroxyundec-5-en-1-ynyl]-3-methyl-4-(2-pyridyl)tetrahydropyran-2-one Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1COC(=O)C(C1C2=CC=CC=N2)C)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1COC(=O)C(C1C2=CC=CC=N2)C)O

InChI

InChI=1S/C22H29NO3/c1-3-4-5-6-7-8-11-19(24)14-13-18-16-26-22(25)17(2)21(18)20-12-9-10-15-23-20/h7-10,12,15,17-19,21,24H,3-6,11,16H2,1-2H3/b8-7+