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

Systemtic Name: 5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]pent-4-ynoic acid Openeye Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]pent-4-ynoic acid CAS Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-4-pentynoic acid IUPAC Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]pent-4-ynoic acid Traditional Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]pent-4-ynoic acid Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=CC=CC(=N1)C#CCCC(=O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C1=CC=CC(=N1)C#CCCC(=O)O)O

InChI

InChI=1S/C21H29NO3/c1-2-3-4-5-6-7-14-20(23)17-16-19-13-10-12-18(22-19)11-8-9-15-21(24)25/h10,12-13,16-17,20,23H,2-7,9,14-15H2,1H3,(H,24,25)/b17-16+