(2E)-2-[[6-(hydroxymethyl)-3-phenylmethoxy-pyridin-2-yl]methylidene]hexanoic acid

Systemtic Name: (2E)-2-[[6-(hydroxymethyl)-3-phenylmethoxy-pyridin-2-yl]methylidene]hexanoic acid Openeye Name: (2E)-2-[[3-benzyloxy-6-(hydroxymethyl)-2-pyridyl]methylene]hexanoic acid CAS Name: (2E)-2-[[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]methylidene]hexanoic acid IUPAC Name: (2E)-2-[[6-(hydroxymethyl)-3-phenylmethoxypyridin-2-yl]methylidene]hexanoic acid Traditional Name: (E)-3-(3-benzoxy-6-methylol-2-pyridyl)-2-butyl-acrylic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=C(C=CC(=N1)CO)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC/C(=C\C1=C(C=CC(=N1)CO)OCC2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C20H23NO4/c1-2-3-9-16(20(23)24)12-18-19(11-10-17(13-22)21-18)25-14-15-7-5-4-6-8-15/h4-8,10-12,22H,2-3,9,13-14H2,1H3,(H,23,24)/b16-12+