(E)-4-[3-dodecoxy-6-(hydroxymethyl)pyridin-2-yl]but-3-enoic acid

Systemtic Name: (E)-4-[3-dodecoxy-6-(hydroxymethyl)pyridin-2-yl]but-3-enoic acid Openeye Name: (E)-4-[3-dodecoxy-6-(hydroxymethyl)-2-pyridyl]but-3-enoic acid CAS Name: (E)-4-[3-dodecoxy-6-(hydroxymethyl)-2-pyridinyl]-3-butenoic acid IUPAC Name: (E)-4-[3-dodecoxy-6-(hydroxymethyl)pyridin-2-yl]but-3-enoic acid Traditional Name: (E)-4-(3-lauryloxy-6-methylol-2-pyridyl)but-3-enoic acid Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(N=C(C=C1)CO)C=CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(N=C(C=C1)CO)/C=C/CC(=O)O

InChI

InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-17-27-21-16-15-19(18-24)23-20(21)13-12-14-22(25)26/h12-13,15-16,24H,2-11,14,17-18H2,1H3,(H,25,26)/b13-12+