[4-(5-hexylpyrimidin-2-yl)phenyl] 3-propoxybutanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-propoxybutanoate CAS Name: 3-propoxybutanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Traditional Name: 3-propoxybutyric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-19-16-24-23(25-17-19)20-10-12-21(13-11-20)28-22(26)15-18(3)27-14-5-2/h10-13,16-18H,4-9,14-15H2,1-3H3