(4-cyanophenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyanophenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C19H17FN2O2 MolecularWeight: 324.348883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C=CC=C(C#N)F)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CCC1/C=C/C=C(\C#N)/F)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H17FN2O2/c20-17(13-22)3-1-2-14-4-8-16(9-5-14)19(23)24-18-10-6-15(12-21)7-11-18/h1-3,6-7,10-11,14,16H,4-5,8-9H2/b2-1+,17-3+