[4-(2-decan-5-yl-4H-pyrimidin-3-yl)phenyl] 11-phenylundecanoate

Systemtic Name: [4-(2-decan-5-yl-4H-pyrimidin-3-yl)phenyl] 11-phenylundecanoate Openeye Name: [4-[2-(1-butylhexyl)-4H-pyrimidin-3-yl]phenyl] 11-phenylundecanoate CAS Name: 11-phenylundecanoic acid [4-(2-decan-5-yl-4H-pyrimidin-3-yl)phenyl] ester IUPAC Name: [4-(2-decan-5-yl-4H-pyrimidin-3-yl)phenyl] 11-phenylundecanoate Traditional Name: 11-phenylundecanoic acid [4-[2-(1-butylhexyl)-4H-pyrimidin-3-yl]phenyl] ester Formula: C37H54N2O2 MolecularWeight: 558.83686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)C1=NC=CCN1C2=CC=C(C=C2)OC(=O)CCCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(CCCC)C1=NC=CCN1C2=CC=C(C=C2)OC(=O)CCCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C37H54N2O2/c1-3-5-14-24-33(23-6-4-2)37-38-30-19-31-39(37)34-26-28-35(29-27-34)41-36(40)25-18-12-10-8-7-9-11-15-20-32-21-16-13-17-22-32/h13,16-17,19,21-22,26-30,33H,3-12,14-15,18,20,23-25,31H2,1-2H3