(5-heptoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate

Systemtic Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-heptoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-heptoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-heptoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C23H32N2O3 MolecularWeight: 384.51178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-12-15-27-20-17-24-23(28-21(26)16-18(3)5-2)25-22(20)19-13-10-9-11-14-19/h9-11,13-14,17-18H,4-8,12,15-16H2,1-3H3