4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile Traditional Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoro-benzonitrile Formula: C27H40FN MolecularWeight: 397.611603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H40FN/c1-2-3-4-5-6-7-8-9-13-26-15-18-27(19-16-26,20-17-26)14-12-23-10-11-24(22-29)25(28)21-23/h10-11,21H,2-9,12-20H2,1H3