[4-(4-decan-5-ylpyrimidin-2-yl)phenyl] 2-fluoranylpropanoate

Systemtic Name: [4-(4-decan-5-ylpyrimidin-2-yl)phenyl] 2-fluoranylpropanoate Openeye Name: [4-[4-(1-butylhexyl)pyrimidin-2-yl]phenyl] 2-fluoropropanoate CAS Name: 2-fluoropropanoic acid [4-(4-decan-5-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-decan-5-ylpyrimidin-2-yl)phenyl] 2-fluoropropanoate Traditional Name: 2-fluoropropionic acid [4-[4-(1-butylhexyl)pyrimidin-2-yl]phenyl] ester Formula: C23H31FN2O2 MolecularWeight: 386.502843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C(C)F

Isomeric SMILES

CCCCCC(CCCC)C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C(C)F

InChI

InChI=1S/C23H31FN2O2/c1-4-6-8-10-18(9-7-5-2)21-15-16-25-22(26-21)19-11-13-20(14-12-19)28-23(27)17(3)24/h11-18H,4-10H2,1-3H3