4-[4-[[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl]oxymethyl]cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-[[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl]oxymethyl]cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[[4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexoxy]methyl]cyclohexyl]benzonitrile CAS Name: 4-[4-[[4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl]oxymethyl]cyclohexyl]benzonitrile IUPAC Name: 4-[4-[[4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl]oxymethyl]cyclohexyl]benzonitrile Traditional Name: 4-[4-[[4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexoxy]methyl]cyclohexyl]benzonitrile Formula: C27H33FN2O MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33FN2O/c28-26(19-30)5-3-1-2-4-21-10-16-27(17-11-21)31-20-23-8-14-25(15-9-23)24-12-6-22(18-29)7-13-24/h1,3,5-7,12-13,21,23,25,27H,2,4,8-11,14-17,20H2/b3-1+,26-5+