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

Systemtic Name: 3-butoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile CAS Name: 3-butoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-butoxy-phthalonitrile Formula: C27H38N2O MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

InChI

InChI=1S/C27H38N2O/c1-3-5-7-11-26-13-16-27(17-14-26,18-15-26)12-10-22-8-9-25(30-19-6-4-2)24(21-29)23(22)20-28/h8-9H,3-7,10-19H2,1-2H3