(4-cyano-3-fluoranyl-phenyl) 4-(5-ethylpyrimidin-2-yl)benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-ethylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-ethylpyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-2-pyrimidinyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethylpyrimidin-2-yl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C20H14FN3O2 MolecularWeight: 347.342463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C20H14FN3O2/c1-2-13-11-23-19(24-12-13)14-3-5-15(6-4-14)20(25)26-17-8-7-16(10-22)18(21)9-17/h3-9,11-12H,2H2,1H3