(E)-3-[1-butyl-2-(hydroxymethyl)-5-phenethyloxy-2H-pyridin-6-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-butyl-2-(hydroxymethyl)-5-phenethyloxy-2H-pyridin-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-butyl-2-(hydroxymethyl)-5-phenethyloxy-2H-pyridin-6-yl]prop-2-enoic acid CAS Name: (E)-3-[1-butyl-2-(hydroxymethyl)-5-phenethyloxy-2H-pyridin-6-yl]-2-propenoic acid IUPAC Name: (E)-3-[1-butyl-2-(hydroxymethyl)-5-phenethyloxy-2H-pyridin-6-yl]prop-2-enoic acid Traditional Name: (E)-3-(1-butyl-2-methylol-5-phenethyloxy-2H-pyridin-6-yl)acrylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C=CC(=C1C=CC(=O)O)OCCC2=CC=CC=C2)CO

Isomeric SMILES

CCCCN1C(C=CC(=C1/C=C/C(=O)O)OCCC2=CC=CC=C2)CO

InChI

InChI=1S/C21H27NO4/c1-2-3-14-22-18(16-23)9-11-20(19(22)10-12-21(24)25)26-15-13-17-7-5-4-6-8-17/h4-12,18,23H,2-3,13-16H2,1H3,(H,24,25)/b12-10+