3-methyl-4-[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]pyran-2-one

Systemtic Name: 3-methyl-4-[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]pyran-2-one Openeye Name: 4-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]-3-methyl-pyran-2-one CAS Name: 4-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridinyl]-3-methyl-2-pyranone IUPAC Name: 4-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]pyridin-2-yl]-3-methylpyran-2-one Traditional Name: 4-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]-3-methyl-pyran-2-one Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1=NC(=CC=C1)C2=C(C(=O)OC=C2)C)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=NC(=CC=C1)C2=C(C(=O)OC=C2)C)O

InChI

InChI=1S/C22H25NO3/c1-3-4-5-6-7-8-11-19(24)14-13-18-10-9-12-21(23-18)20-15-16-26-22(25)17(20)2/h7-10,12,15-16,19,24H,3-6,11H2,1-2H3/b8-7+