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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-10-11-12-14-16-26(30)31-25-21-28-27(29-22-25)24-19-17-23(18-20-24)15-13-8-6-4-2/h17-22H,3-16H2,1-2H3