(3-fluorophenyl) 4-(5-but-3-enylpyrimidin-2-yl)-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: (3-fluorophenyl) 4-(5-but-3-enylpyrimidin-2-yl)-4-cyano-cyclohexane-1-carboxylate Openeye Name: (3-fluorophenyl) 4-(5-but-3-enylpyrimidin-2-yl)-4-cyano-cyclohexanecarboxylate CAS Name: 4-(5-but-3-enyl-2-pyrimidinyl)-4-cyano-1-cyclohexanecarboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-(5-but-3-enylpyrimidin-2-yl)-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-(5-but-3-enylpyrimidin-2-yl)-4-cyano-cyclohexanecarboxylic acid (3-fluorophenyl) ester Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CN=C(N=C1)C2(CCC(CC2)C(=O)OC3=CC(=CC=C3)F)C#N

Isomeric SMILES

C=CCCC1=CN=C(N=C1)C2(CCC(CC2)C(=O)OC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C22H22FN3O2/c1-2-3-5-16-13-25-21(26-14-16)22(15-24)10-8-17(9-11-22)20(27)28-19-7-4-6-18(23)12-19/h2,4,6-7,12-14,17H,1,3,5,8-11H2