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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonoxy-2-pyridyl)benzoate CAS Name: 4-(5-nonoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-nonoxypyridin-2-yl)benzoate Traditional Name: 4-(5-nonoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H50N2O3 MolecularWeight: 546.7831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C35H50N2O3/c1-3-5-7-9-10-12-14-26-39-32-19-20-33(37-27-32)29-15-17-30(18-16-29)34(38)40-31-21-24-35(28-36,25-22-31)23-13-11-8-6-4-2/h15-20,27,31H,3-14,21-26H2,1-2H3