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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-octoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-octoxy-2-pyridyl)benzoate CAS Name: 4-(5-octoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-octoxypyridin-2-yl)benzoate Traditional Name: 4-(5-octoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C34H48N2O3 MolecularWeight: 532.75652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C34H48N2O3/c1-3-5-7-9-11-13-25-38-31-18-19-32(36-26-31)28-14-16-29(17-15-28)33(37)39-30-20-23-34(27-35,24-21-30)22-12-10-8-6-4-2/h14-19,26,30H,3-13,20-25H2,1-2H3