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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-nonoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-nonoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-nonoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C34H49N3O3 MolecularWeight: 547.77116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49N3O3/c1-3-5-7-9-10-12-14-24-39-31-25-36-32(37-26-31)28-15-17-29(18-16-28)33(38)40-30-19-22-34(27-35,23-20-30)21-13-11-8-6-4-2/h15-18,25-26,30H,3-14,19-24H2,1-2H3