[4-(5-dodecylpyrimidin-2-yl)phenyl] 2-fluoranylbutanoate

Systemtic Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-fluoranylbutanoate Openeye Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-fluorobutanoate CAS Name: 2-fluorobutanoic acid [4-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-fluorobutanoate Traditional Name: 2-fluorobutyric acid [4-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C26H37FN2O2 MolecularWeight: 428.582583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)F

InChI

InChI=1S/C26H37FN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-21-19-28-25(29-20-21)22-15-17-23(18-16-22)31-26(30)24(27)4-2/h15-20,24H,3-14H2,1-2H3