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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-13-18-29-22-19-26-25(27-24(22)21-15-9-8-10-16-21)30-23(28)17-12-11-14-20(3)5-2/h8-10,15-16,19-20H,4-7,11-14,17-18H2,1-3H3