[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate

Systemtic Name: [4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Openeye Name: [4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate CAS Name: 8-methyldecanoic acid [4-[2-(4-undecoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Traditional Name: 8-methylcapric acid [4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C38H54N2O3 MolecularWeight: 586.84696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

InChI

InChI=1S/C38H54N2O3/c1-4-6-7-8-9-10-11-14-17-28-42-35-24-22-33(23-25-35)38-39-29-34(30-40-38)32-20-26-36(27-21-32)43-37(41)19-16-13-12-15-18-31(3)5-2/h20-27,29-31H,4-19,28H2,1-3H3