[4-(5-heptoxypyrimidin-2-yl)phenyl] 6-methyloctanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

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