(E)-7-[3-[(E)-3-oxidanyloct-1-enyl]pyridin-4-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-[(E)-3-oxidanyloct-1-enyl]pyridin-4-yl]hept-5-enoic acid Openeye Name: (E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-4-pyridyl]hept-5-enoic acid CAS Name: (E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-4-pyridinyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-[(E)-3-hydroxyoct-1-enyl]pyridin-4-yl]hept-5-enoic acid Traditional Name: (E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-4-pyridyl]hept-5-enoic acid Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=C(C=CN=C1)CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1=C(C=CN=C1)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C20H29NO3/c1-2-3-6-10-19(22)13-12-18-16-21-15-14-17(18)9-7-4-5-8-11-20(23)24/h4,7,12-16,19,22H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,13-12+