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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-oct-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-7-9-11-12-14-22-16-18-23(19-17-22)26-27-20-24(21-28-26)30-25(29)15-13-10-8-6-4-2/h13,15-21H,3-12,14H2,1-2H3/b15-13+