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

Systemtic Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-butoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-butoxypyrimidin-2-yl)phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-15-27-21-16-24-23(25-17-21)19-11-13-20(14-12-19)28-22(26)10-8-7-9-18(3)5-2/h11-14,16-18H,4-10,15H2,1-3H3