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

Systemtic Name: 3-(4-butoxy-3-cyano-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxy-3-cyano-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-butoxy-3-cyanophenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxy-3-cyanophenyl)-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-(4-butoxy-3-cyano-phenyl)phthalonitrile Formula: C32H37N3O MolecularWeight: 479.65568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H37N3O/c1-3-5-7-12-31-13-16-32(17-14-31,18-15-31)29-10-9-26(27(22-34)28(29)23-35)24-8-11-30(25(20-24)21-33)36-19-6-4-2/h8-11,20H,3-7,12-19H2,1-2H3