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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40FN/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-18-27(19-16-26,20-17-26)24-13-12-23(22-29)25(28)21-24/h12-13,21H,2-11,14-20H2,1H3