2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile

Systemtic Name: 2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 2-butoxy-5-(1-ethyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CC)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CC)C#N

InChI

InChI=1S/C21H29NO/c1-3-5-14-23-19-7-6-18(15-17(19)16-22)21-11-8-20(4-2,9-12-21)10-13-21/h6-7,15H,3-5,8-14H2,1-2H3