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

Systemtic Name: 3-[4-(5-heptylpyridin-2-yl)phenyl]prop-2-enoic acid Openeye Name: 3-[4-(5-heptyl-2-pyridyl)phenyl]prop-2-enoic acid CAS Name: 3-[4-(5-heptyl-2-pyridinyl)phenyl]-2-propenoic acid IUPAC Name: 3-[4-(5-heptylpyridin-2-yl)phenyl]prop-2-enoic acid Traditional Name: 3-[4-(5-heptyl-2-pyridyl)phenyl]acrylic acid Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O

InChI

InChI=1S/C21H25NO2/c1-2-3-4-5-6-7-18-10-14-20(22-16-18)19-12-8-17(9-13-19)11-15-21(23)24/h8-16H,2-7H2,1H3,(H,23,24)