4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 4-methoxy-3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C31H42N2O MolecularWeight: 458.67798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=CC(=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCC)OC

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=CC(=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCC)OC

InChI

InChI=1S/C31H42N2O/c1-4-6-28-8-14-30(15-9-28,16-10-28)25-20-26(34-3)27(24(22-33)23(25)21-32)31-17-11-29(7-5-2,12-18-31)13-19-31/h20H,4-19H2,1-3H3