[2,3-dicyano-4-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl] butanoate

Systemtic Name: [2,3-dicyano-4-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl] butanoate Openeye Name: [2,3-dicyano-4-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl] butanoate CAS Name: butanoic acid [2,3-dicyano-4-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl] ester IUPAC Name: [2,3-dicyano-4-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl] butanoate Traditional Name: butyric acid [4-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyano-phenyl] ester Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OC(=O)CCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OC(=O)CCC)C#N)C#N

InChI

InChI=1S/C31H36N2O2/c1-3-5-6-14-30-15-18-31(19-16-30,20-17-30)24-10-8-23(9-11-24)25-12-13-28(35-29(34)7-4-2)27(22-33)26(25)21-32/h8-13H,3-7,14-20H2,1-2H3