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

Systemtic Name: (2,3-dicyano-4-pentyl-phenyl) 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: (2,3-dicyano-4-pentyl-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-pentylphenyl) ester IUPAC Name: (2,3-dicyano-4-pentylphenyl) 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)benzoic acid (4-amyl-2,3-dicyano-phenyl) ester Formula: C33H40N2O2 MolecularWeight: 496.6829

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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)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H40N2O2/c1-3-5-7-9-25-12-15-30(29(24-35)28(25)23-34)37-31(36)26-10-13-27(14-11-26)33-20-17-32(18-21-33,19-22-33)16-8-6-4-2/h10-15H,3-9,16-22H2,1-2H3