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

Systemtic Name: (2,3-dicyano-4-propyl-phenyl) 2-bromanyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: (2,3-dicyano-4-propyl-phenyl) 2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propylphenyl) ester IUPAC Name: (2,3-dicyano-4-propylphenyl) 2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propyl-phenyl) ester Formula: C29H31BrN2O2 MolecularWeight: 519.47264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

InChI

InChI=1S/C29H31BrN2O2/c1-3-5-20-6-9-26(24(19-32)23(20)18-31)34-27(33)22-8-7-21(17-25(22)30)29-14-11-28(10-4-2,12-15-29)13-16-29/h6-9,17H,3-5,10-16H2,1-2H3