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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H51N3O2 MolecularWeight: 545.79834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N3O2/c1-3-5-7-9-10-11-12-14-16-29-26-37-33(38-27-29)30-17-19-31(20-18-30)34(39)40-32-21-24-35(28-36,25-22-32)23-15-13-8-6-4-2/h17-20,26-27,32H,3-16,21-25H2,1-2H3