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

Systemtic Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-[2-(1-lauryl-4-bicyclo[2.2.2]octanyl)ethyl]benzonitrile Formula: C29H44FN MolecularWeight: 425.664763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C29H44FN/c1-2-3-4-5-6-7-8-9-10-11-15-28-17-20-29(21-18-28,22-19-28)16-14-25-12-13-26(24-31)27(30)23-25/h12-13,23H,2-11,14-22H2,1H3