[4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-cyanobenzoate

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-cyanobenzoate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C19H17FN2O2 MolecularWeight: 324.348883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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