[4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methylundecanoate

Systemtic Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methylundecanoate Openeye Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methylundecanoate CAS Name: 5-methylundecanoic acid [4-[4-(5-dodecoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methylundecanoate Traditional Name: 5-methylundecanoic acid [4-[4-(5-lauryloxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C40H58N2O3 MolecularWeight: 614.90012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCCC

InChI

InChI=1S/C40H58N2O3/c1-4-6-8-10-11-12-13-14-15-17-30-44-38-31-41-40(42-32-38)36-24-22-34(23-25-36)35-26-28-37(29-27-35)45-39(43)21-18-20-33(3)19-16-9-7-5-2/h22-29,31-33H,4-21,30H2,1-3H3