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

Systemtic Name: (2,3-dicyano-4-pentyl-phenyl) 3-bromanyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: (2,3-dicyano-4-pentyl-phenyl) 3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-pentylphenyl) ester IUPAC Name: (2,3-dicyano-4-pentylphenyl) 3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)-3-bromo-benzoic acid (4-amyl-2,3-dicyano-phenyl) ester Formula: C33H39BrN2O2 MolecularWeight: 575.57896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)Br)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)Br)C#N)C#N

InChI

InChI=1S/C33H39BrN2O2/c1-3-5-7-9-24-11-13-30(27(23-36)26(24)22-35)38-31(37)25-10-12-28(29(34)21-25)33-18-15-32(16-19-33,17-20-33)14-8-6-4-2/h10-13,21H,3-9,14-20H2,1-2H3