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

Systemtic Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)-2-octyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)-2-octyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-heptyl-2-pyrimidinyl)-2-octylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)-2-octylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)-2-octyl-phenyl]acrylic acid Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C2=NC=C(C=N2)CCCCCCC)C=CC(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C2=NC=C(C=N2)CCCCCCC)/C=C/C(=O)O

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-11-13-15-25-20-26(17-16-24(25)18-19-27(31)32)28-29-21-23(22-30-28)14-12-10-8-6-4-2/h16-22H,3-15H2,1-2H3,(H,31,32)/b19-18+