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

Systemtic Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-[2-(1-lauryl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C33H44FN MolecularWeight: 473.707563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C33H44FN/c1-2-3-4-5-6-7-8-9-10-13-18-32-19-22-33(23-20-32,24-21-32)30-15-12-11-14-29(30)27-16-17-28(26-35)31(34)25-27/h11-12,14-17,25H,2-10,13,18-24H2,1H3