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

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-11-18-30-23-16-14-22(15-17-23)26-27-19-24(20-28-26)31-25(29)13-10-9-12-21(3)5-2/h14-17,19-21H,4-13,18H2,1-3H3