(5-butoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-16-27-20-17-24-23(25-22(20)19-13-8-7-9-14-19)28-21(26)15-11-10-12-18(3)5-2/h7-9,13-14,17-18H,4-6,10-12,15-16H2,1-3H3