[4-cyano-3,5-bis(fluoranyl)phenyl] 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]ethenyl]benzoate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]ethenyl]benzoate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]vinyl]benzoate CAS Name: 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]ethenyl]benzoic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[4-[(E)-but-1-enyl]cyclohexyl]vinyl]benzoic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C26H25F2NO2 MolecularWeight: 421.479006

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1CCC(CC1)C=CC2=CC=C(C=C2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F

Isomeric SMILES

CC/C=C/C1CCC(CC1)/C=C/C2=CC=C(C=C2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F

InChI

InChI=1S/C26H25F2NO2/c1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)26(30)31-22-15-24(27)23(17-29)25(28)16-22/h3-4,9-16,18-19H,2,5-8H2,1H3/b4-3+,10-9+