[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate CAS Name: 4-methylundecanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate Traditional Name: 4-methylundecanoic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O2 MolecularWeight: 542.7944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCCCCC

InChI

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