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

Systemtic Name: (2,3-dicyano-4-propyl-phenyl) 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: (2,3-dicyano-4-propyl-phenyl) 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propylphenyl) ester IUPAC Name: (2,3-dicyano-4-propylphenyl) 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propyl-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)C(=O)OC4=C(C(=C(C=C4)CCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C(=O)OC4=C(C(=C(C=C4)CCC)C#N)C#N

InChI

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