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

Systemtic Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-heptoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-heptoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-heptoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-14-19-30-23-20-27-26(28-25(23)22-16-10-9-11-17-22)31-24(29)18-13-12-15-21(3)5-2/h9-11,16-17,20-21H,4-8,12-15,18-19H2,1-3H3