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

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C22H26FNO2 MolecularWeight: 355.445743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C22H26FNO2/c1-2-3-5-17-8-12-19(13-9-17)22(25)26-21-14-10-18(11-15-21)6-4-7-20(23)16-24/h4,6-9,12-13,18,21H,2-3,5,10-11,14-15H2,1H3/b6-4+,20-7+