(4-cyano-3-fluoranyl-phenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C19H18F2N2O2 MolecularWeight: 344.355226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=C(C#N)F)C(=O)OC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

C1CC(CCC1CC/C=C(\C#N)/F)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C19H18F2N2O2/c20-16(12-23)3-1-2-13-4-6-14(7-5-13)19(24)25-17-9-8-15(11-22)18(21)10-17/h3,8-10,13-14H,1-2,4-7H2/b16-3+