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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-12-21-14-16-22(17-15-21)25-26-18-23(19-27-25)29-24(28)13-10-9-11-20(3)5-2/h14-20H,4-13H2,1-3H3