3-[2-(3-bromanyl-4-butoxy-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-[2-(3-bromanyl-4-butoxy-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(3-bromo-4-butoxy-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-[2-(3-bromo-4-butoxyphenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(3-bromo-4-butoxyphenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-[2-(3-bromo-4-butoxy-phenyl)ethyl]phthalonitrile Formula: C33H41BrN2O MolecularWeight: 561.59544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=CC(=C(C=C4)OCCCC)Br)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=CC(=C(C=C4)OCCCC)Br)C#N)C#N

InChI

InChI=1S/C33H41BrN2O/c1-3-5-7-14-32-15-18-33(19-16-32,20-17-32)29-12-11-26(27(23-35)28(29)24-36)10-8-25-9-13-31(30(34)22-25)37-21-6-4-2/h9,11-13,22H,3-8,10,14-21H2,1-2H3