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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decoxy-2-pyridyl)benzoate CAS Name: 4-(5-decoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-decoxypyridin-2-yl)benzoate Traditional Name: 4-(5-decoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C36H52N2O3 MolecularWeight: 560.80968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C36H52N2O3/c1-3-5-7-9-10-11-13-15-27-40-33-20-21-34(38-28-33)30-16-18-31(19-17-30)35(39)41-32-22-25-36(29-37,26-23-32)24-14-12-8-6-4-2/h16-21,28,32H,3-15,22-27H2,1-2H3