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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decylpyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decyl-2-pyridyl)benzoate CAS Name: 4-(5-decyl-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-decylpyridin-2-yl)benzoate Traditional Name: 4-(5-decyl-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C36H52N2O2 MolecularWeight: 544.81028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C36H52N2O2/c1-3-5-7-9-10-11-12-14-16-30-17-22-34(38-28-30)31-18-20-32(21-19-31)35(39)40-33-23-26-36(29-37,27-24-33)25-15-13-8-6-4-2/h17-22,28,33H,3-16,23-27H2,1-2H3