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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H16FN3O2/c1-2-3-14-12-24-20(25-13-14)15-4-6-16(7-5-15)21(26)27-18-9-8-17(11-23)19(22)10-18/h4-10,12-13H,2-3H2,1H3