[2-(4-octylphenyl)pyrimidin-5-yl] undecanoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCC

InChI

InChI=1S/C29H44N2O2/c1-3-5-7-9-11-12-14-16-18-28(32)33-27-23-30-29(31-24-27)26-21-19-25(20-22-26)17-15-13-10-8-6-4-2/h19-24H,3-18H2,1-2H3