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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonylpyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonyl-2-pyridyl)benzoate CAS Name: 4-(5-nonyl-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-nonylpyridin-2-yl)benzoate Traditional Name: 4-(5-nonyl-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H50N2O2 MolecularWeight: 530.7837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C35H50N2O2/c1-3-5-7-9-10-11-13-15-29-16-21-33(37-27-29)30-17-19-31(20-18-30)34(38)39-32-22-25-35(28-36,26-23-32)24-14-12-8-6-4-2/h16-21,27,32H,3-15,22-26H2,1-2H3