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

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-propylbenzoate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-propylbenzoate CAS Name: 4-propylbenzoic 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-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C21H24FNO2 MolecularWeight: 341.419163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C21H24FNO2/c1-2-4-16-7-11-18(12-8-16)21(24)25-20-13-9-17(10-14-20)5-3-6-19(22)15-23/h3,5-8,11-12,17,20H,2,4,9-10,13-14H2,1H3/b5-3+,19-6+