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

Systemtic Name: 2-butoxy-5-[1-(4-propylphenyl)-4-bicyclo[2.2.2]octanyl]benzenecarbonitrile Openeye Name: 2-butoxy-5-[1-(4-propylphenyl)-4-bicyclo[2.2.2]octanyl]benzonitrile CAS Name: 2-butoxy-5-[1-(4-propylphenyl)-4-bicyclo[2.2.2]octanyl]benzonitrile IUPAC Name: 2-butoxy-5-[1-(4-propylphenyl)-4-bicyclo[2.2.2]octanyl]benzonitrile Traditional Name: 2-butoxy-5-[1-(4-propylphenyl)-4-bicyclo[2.2.2]octanyl]benzonitrile Formula: C28H35NO MolecularWeight: 401.5836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)C4=CC=C(C=C4)CCC)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)C4=CC=C(C=C4)CCC)C#N

InChI

InChI=1S/C28H35NO/c1-3-5-19-30-26-12-11-25(20-23(26)21-29)28-16-13-27(14-17-28,15-18-28)24-9-7-22(6-4-2)8-10-24/h7-12,20H,3-6,13-19H2,1-2H3