[4-cyano-3,5-bis(fluoranyl)phenyl] 4-[(E)-but-2-enyl]cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-[(E)-but-2-enyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-[(E)-but-2-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-but-2-enyl]-1-cyclohexanecarboxylic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-[(E)-but-2-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-but-2-enyl]cyclohexanecarboxylic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C18H19F2NO2 MolecularWeight: 319.345766

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1CCC(CC1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F

Isomeric SMILES

C/C=C/CC1CCC(CC1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F

InChI

InChI=1S/C18H19F2NO2/c1-2-3-4-12-5-7-13(8-6-12)18(22)23-14-9-16(19)15(11-21)17(20)10-14/h2-3,9-10,12-13H,4-8H2,1H3/b3-2+