(2,3-dicyano-4-pentyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: (2,3-dicyano-4-pentyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyano-4-pentyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-heptyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyano-4-pentylphenyl) ester IUPAC Name: (2,3-dicyano-4-pentylphenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-heptylbicyclo[2.2.2]octane-4-carboxylic acid (4-amyl-2,3-dicyano-phenyl) ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C29H40N2O2/c1-3-5-7-8-10-14-28-15-18-29(19-16-28,20-17-28)27(32)33-26-13-12-23(11-9-6-4-2)24(21-30)25(26)22-31/h12-13H,3-11,14-20H2,1-2H3