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

Systemtic Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-heptyl-2-pyrimidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]acrylic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-2-3-4-5-6-7-17-14-21-20(22-15-17)18-11-8-16(9-12-18)10-13-19(23)24/h8-15H,2-7H2,1H3,(H,23,24)/b13-10+