[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate

Systemtic Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate Openeye Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate CAS Name: 6-methyldodecanoic acid [4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate Traditional Name: 6-methyllauric acid [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCCCC

InChI

InChI=1S/C35H48N2O2/c1-4-6-8-10-14-28(3)15-12-13-17-34(38)39-33-24-22-30(23-25-33)32-26-36-35(37-27-32)31-20-18-29(19-21-31)16-11-9-7-5-2/h18-28H,4-17H2,1-3H3