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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-non-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-non-2-enoate CAS Name: (E)-2-nonenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-non-2-enoate Traditional Name: (E)-non-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-11-13-15-23-17-19-24(20-18-23)27-28-21-25(22-29-27)31-26(30)16-14-12-10-8-6-4-2/h14,16-22H,3-13,15H2,1-2H3/b16-14+