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

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-10-17-29-23-18-26-25(27-19-23)21-13-15-22(16-14-21)30-24(28)12-9-8-11-20(3)5-2/h13-16,18-20H,4-12,17H2,1-3H3