(4-cyano-4-heptyl-cyclohexyl) 4-(5-heptylpyridin-2-yl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptylpyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptyl-2-pyridyl)benzoate CAS Name: 4-(5-heptyl-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 4-(5-heptyl-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H46N2O2 MolecularWeight: 502.73054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C33H46N2O2/c1-3-5-7-9-11-13-27-14-19-31(35-25-27)28-15-17-29(18-16-28)32(36)37-30-20-23-33(26-34,24-21-30)22-12-10-8-6-4-2/h14-19,25,30H,3-13,20-24H2,1-2H3