(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-bis(fluoranyl)benzoate

Systemtic Name: (4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-bis(fluoranyl)benzoate Openeye Name: (4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-2,6-difluorobenzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-2,6-difluoro-benzoic acid (4-chlorophenyl) ester Formula: C21H17ClF2N2O2 MolecularWeight: 402.821686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H17ClF2N2O2/c1-2-3-4-13-11-25-20(26-12-13)14-9-17(23)19(18(24)10-14)21(27)28-16-7-5-15(22)6-8-16/h5-12H,2-4H2,1H3