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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C26H38N2O2/c1-4-6-7-8-9-13-22-15-17-23(18-16-22)26-27-19-24(20-28-26)30-25(29)14-11-10-12-21(3)5-2/h15-21H,4-14H2,1-3H3