4-[4-[[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl]oxymethyl]cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-[[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl]oxymethyl]cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[[4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexoxy]methyl]cyclohexyl]benzonitrile CAS Name: 4-[4-[[4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl]oxymethyl]cyclohexyl]benzonitrile IUPAC Name: 4-[4-[[4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl]oxymethyl]cyclohexyl]benzonitrile Traditional Name: 4-[4-[[4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexoxy]methyl]cyclohexyl]benzonitrile Formula: C25H31FN2O MolecularWeight: 394.524843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=C(C#N)F)OCC2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C(\C#N)/F)OCC2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31FN2O/c26-24(17-28)3-1-2-19-8-14-25(15-9-19)29-18-21-6-12-23(13-7-21)22-10-4-20(16-27)5-11-22/h3-5,10-11,19,21,23,25H,1-2,6-9,12-15,18H2/b24-3+