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

Systemtic Name: (5R)-5-oxidanyl-5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]pentanoic acid Openeye Name: (5R)-5-hydroxy-5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]pentanoic acid CAS Name: (5R)-5-hydroxy-5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentanoic acid IUPAC Name: (5R)-5-hydroxy-5-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]pentanoic acid Traditional Name: (5R)-5-hydroxy-5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]valeric acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(/C=C/C1=NC(=CC=C1)[C@@H](CCCC(=O)O)O)O

InChI

InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-11-18(23)16-15-17-10-8-12-19(22-17)20(24)13-9-14-21(25)26/h8,10,12,15-16,18,20,23-24H,2-7,9,11,13-14H2,1H3,(H,25,26)/b16-15+/t18?,20-/m1/s1