[2-(4-heptylphenyl)pyrimidin-5-yl] (E)-non-2-enoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C=CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)/C=C/CCCCCC

InChI

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