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

Systemtic Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-octoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-octoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-octoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C27H40N2O3 MolecularWeight: 440.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-15-20-31-24-21-28-27(29-26(24)23-17-11-10-12-18-23)32-25(30)19-14-13-16-22(3)5-2/h10-12,17-18,21-22H,4-9,13-16,19-20H2,1-3H3