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

Systemtic Name: (4-butylphenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 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-butylphenyl) ester Formula: C22H28FNO2 MolecularWeight: 357.461623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=C(C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C(\C#N)/F

InChI

InChI=1S/C22H28FNO2/c1-2-3-5-17-10-14-21(15-11-17)26-22(25)19-12-8-18(9-13-19)6-4-7-20(23)16-24/h7,10-11,14-15,18-19H,2-6,8-9,12-13H2,1H3/b20-7+