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

Systemtic Name: (5-pentoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-pentoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-pentoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-pentoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-amoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-12-17-28-21-18-25-24(26-23(21)20-14-8-7-9-15-20)29-22(27)16-11-10-13-19(3)5-2/h7-9,14-15,18-19H,4-6,10-13,16-17H2,1-3H3