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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-octoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-octoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-octoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-octoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-octoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H47N3O3 MolecularWeight: 533.74458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C33H47N3O3/c1-3-5-7-9-11-13-23-38-30-24-35-31(36-25-30)27-14-16-28(17-15-27)32(37)39-29-18-21-33(26-34,22-19-29)20-12-10-8-6-4-2/h14-17,24-25,29H,3-13,18-23H2,1-2H3