2-fluoranyl-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-fluoro-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-fluoro-4-[2-(1-undecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C32H42FN MolecularWeight: 459.680983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C32H42FN/c1-2-3-4-5-6-7-8-9-12-17-31-18-21-32(22-19-31,23-20-31)29-14-11-10-13-28(29)26-15-16-27(25-34)30(33)24-26/h10-11,13-16,24H,2-9,12,17-23H2,1H3