(E)-3-[4-(5-hexylpyridin-2-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(5-hexylpyridin-2-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(5-hexyl-2-pyridyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-hexyl-2-pyridinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(5-hexylpyridin-2-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(5-hexyl-2-pyridyl)phenyl]acrylic acid Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C20H23NO2/c1-2-3-4-5-6-17-9-13-19(21-15-17)18-11-7-16(8-12-18)10-14-20(22)23/h7-15H,2-6H2,1H3,(H,22,23)/b14-10+