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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C22H18FN3O2 MolecularWeight: 375.395623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3O2/c1-2-3-4-15-13-25-21(26-14-15)16-5-7-17(8-6-16)22(27)28-19-10-9-18(12-24)20(23)11-19/h5-11,13-14H,2-4H2,1H3