3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoic acid

Systemtic Name: 3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoic acid Openeye Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoic acid CAS Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]ethyl]benzoic acid IUPAC Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]ethyl]benzoic acid Traditional Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)O)O)O

InChI

InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-14-23(27)16-15-21-12-9-13-22(26-21)18-24(28)19-10-8-11-20(17-19)25(29)30/h8-13,15-17,23-24,27-28H,2-7,14,18H2,1H3,(H,29,30)/b16-15+