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

Systemtic Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-pentoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-amoxypyrimidin-2-yl)phenyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-9-16-28-22-17-25-24(26-18-22)20-12-14-21(15-13-20)29-23(27)11-8-7-10-19(3)5-2/h12-15,17-19H,4-11,16H2,1-3H3