[4-(4-chloranyl-3-fluoranyl-phenyl)-3-fluoranyl-phenyl] 5-pentylpyrimidine-2-carboxylate

Systemtic Name: [4-(4-chloranyl-3-fluoranyl-phenyl)-3-fluoranyl-phenyl] 5-pentylpyrimidine-2-carboxylate Openeye Name: [4-(4-chloro-3-fluoro-phenyl)-3-fluoro-phenyl] 5-pentylpyrimidine-2-carboxylate CAS Name: 5-pentyl-2-pyrimidinecarboxylic acid [4-(4-chloro-3-fluorophenyl)-3-fluorophenyl] ester IUPAC Name: [4-(4-chloro-3-fluorophenyl)-3-fluorophenyl] 5-pentylpyrimidine-2-carboxylate Traditional Name: 5-amylpyrimidine-2-carboxylic acid [4-(4-chloro-3-fluoro-phenyl)-3-fluoro-phenyl] ester Formula: C22H19ClF2N2O2 MolecularWeight: 416.848266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C(=O)OC2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)F)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C(=O)OC2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)F)F

InChI

InChI=1S/C22H19ClF2N2O2/c1-2-3-4-5-14-12-26-21(27-13-14)22(28)29-16-7-8-17(19(24)11-16)15-6-9-18(23)20(25)10-15/h6-13H,2-5H2,1H3