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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-decoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-decoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-decoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H51N3O3 MolecularWeight: 561.79774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N3O3/c1-3-5-7-9-10-11-13-15-25-40-32-26-37-33(38-27-32)29-16-18-30(19-17-29)34(39)41-31-20-23-35(28-36,24-21-31)22-14-12-8-6-4-2/h16-19,26-27,31H,3-15,20-25H2,1-2H3