5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-pentoxy-benzenecarbonitrile

Systemtic Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-pentoxy-benzenecarbonitrile Openeye Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-pentoxy-benzonitrile CAS Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-pentoxybenzonitrile IUPAC Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-pentoxybenzonitrile Traditional Name: 2-amoxy-5-(1-butyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C24H35NO MolecularWeight: 353.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N

InChI

InChI=1S/C24H35NO/c1-3-5-7-17-26-22-9-8-21(18-20(22)19-25)24-14-11-23(12-15-24,13-16-24)10-6-4-2/h8-9,18H,3-7,10-17H2,1-2H3