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

Systemtic Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methyldecanoate Openeye Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methyldecanoate CAS Name: 4-methyldecanoic acid [4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methyldecanoate Traditional Name: 4-methylcapric acid [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O2 MolecularWeight: 542.7944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCCCC

InChI

InChI=1S/C36H50N2O2/c1-4-6-8-10-11-12-14-16-30-18-20-32(21-19-30)36-37-27-33(28-38-36)31-22-24-34(25-23-31)40-35(39)26-17-29(3)15-13-9-7-5-2/h18-25,27-29H,4-17,26H2,1-3H3