[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate CAS Name: 8-methyldodecanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate Traditional Name: 8-methyllauric acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O2 MolecularWeight: 542.7944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CCCC

InChI

InChI=1S/C36H50N2O2/c1-4-6-8-9-13-17-30-19-21-32(22-20-30)36-37-27-33(28-38-36)31-23-25-34(26-24-31)40-35(39)18-14-11-10-12-16-29(3)15-7-5-2/h19-29H,4-18H2,1-3H3