[2-(4-octylphenyl)pyrimidin-5-yl] (E)-hept-2-enoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hept-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C=CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-3-5-7-9-10-11-13-21-15-17-22(18-16-21)25-26-19-23(20-27-25)29-24(28)14-12-8-6-4-2/h12,14-20H,3-11,13H2,1-2H3/b14-12+