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

Systemtic Name: (2,3-dicyano-4-propyl-phenyl) 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: (2,3-dicyano-4-propyl-phenyl) 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propylphenyl) ester IUPAC Name: (2,3-dicyano-4-propylphenyl) 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoic acid (2,3-dicyano-4-propyl-phenyl) ester Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O2/c1-3-5-21-8-11-26(25(20-31)24(21)19-30)33-27(32)22-6-9-23(10-7-22)29-16-13-28(12-4-2,14-17-29)15-18-29/h6-11H,3-5,12-18H2,1-2H3