[4-(3,4-dichlorophenyl)-3-fluoranyl-phenyl] 5-butylpyrimidine-2-carboxylate

Systemtic Name: [4-(3,4-dichlorophenyl)-3-fluoranyl-phenyl] 5-butylpyrimidine-2-carboxylate Openeye Name: [4-(3,4-dichlorophenyl)-3-fluoro-phenyl] 5-butylpyrimidine-2-carboxylate CAS Name: 5-butyl-2-pyrimidinecarboxylic acid [4-(3,4-dichlorophenyl)-3-fluorophenyl] ester IUPAC Name: [4-(3,4-dichlorophenyl)-3-fluorophenyl] 5-butylpyrimidine-2-carboxylate Traditional Name: 5-butylpyrimidine-2-carboxylic acid [4-(3,4-dichlorophenyl)-3-fluoro-phenyl] ester Formula: C21H17Cl2FN2O2 MolecularWeight: 419.276283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C(=O)OC2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F

Isomeric SMILES

CCCCC1=CN=C(N=C1)C(=O)OC2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F

InChI

InChI=1S/C21H17Cl2FN2O2/c1-2-3-4-13-11-25-20(26-12-13)21(27)28-15-6-7-16(19(24)10-15)14-5-8-17(22)18(23)9-14/h5-12H,2-4H2,1H3