4-oxidanylidene-5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]pentanoic acid

Systemtic Name: 4-oxidanylidene-5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]pentanoic acid Openeye Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]-4-oxo-pentanoic acid CAS Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-4-oxopentanoic acid IUPAC Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]-4-oxopentanoic acid Traditional Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]-4-keto-valeric acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=NC(=CC=C1)CC(=O)CCC(=O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C1=NC(=CC=C1)CC(=O)CCC(=O)O)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-5-6-7-11-19(23)13-12-17-9-8-10-18(22-17)16-20(24)14-15-21(25)26/h8-10,12-13,19,23H,2-7,11,14-16H2,1H3,(H,25,26)/b13-12+