(E)-3-(6-butylpyridin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-butylpyridin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-butyl-3-pyridyl)prop-2-enoic acid CAS Name: (E)-3-(6-butyl-3-pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-(6-butylpyridin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-butyl-3-pyridyl)acrylic acid Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCCC1=NC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C12H15NO2/c1-2-3-4-11-7-5-10(9-13-11)6-8-12(14)15/h5-9H,2-4H2,1H3,(H,14,15)/b8-6+