(3-fluorophenyl) 4-cyano-2-hexyl-1,3-dioxane-5-carboxylate

Systemtic Name: (3-fluorophenyl) 4-cyano-2-hexyl-1,3-dioxane-5-carboxylate Openeye Name: (3-fluorophenyl) 4-cyano-2-hexyl-1,3-dioxane-5-carboxylate CAS Name: 4-cyano-2-hexyl-1,3-dioxane-5-carboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-cyano-2-hexyl-1,3-dioxane-5-carboxylate Traditional Name: 4-cyano-2-hexyl-1,3-dioxane-5-carboxylic acid (3-fluorophenyl) ester Formula: C18H22FNO4 MolecularWeight: 335.369983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(C(O1)C#N)C(=O)OC2=CC(=CC=C2)F

Isomeric SMILES

CCCCCCC1OCC(C(O1)C#N)C(=O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C18H22FNO4/c1-2-3-4-5-9-17-22-12-15(16(11-20)24-17)18(21)23-14-8-6-7-13(19)10-14/h6-8,10,15-17H,2-5,9,12H2,1H3