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

Systemtic Name: (3-fluorophenyl) 2-butyl-4-cyano-1,3-dioxane-5-carboxylate Openeye Name: (3-fluorophenyl) 2-butyl-4-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-4-cyano-1,3-dioxane-5-carboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 2-butyl-4-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-4-cyano-1,3-dioxane-5-carboxylic acid (3-fluorophenyl) ester Formula: C16H18FNO4 MolecularWeight: 307.316823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1OCC(C(O1)C#N)C(=O)OC2=CC(=CC=C2)F

Isomeric SMILES

CCCCC1OCC(C(O1)C#N)C(=O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C16H18FNO4/c1-2-3-7-15-20-10-13(14(9-18)22-15)16(19)21-12-6-4-5-11(17)8-12/h4-6,8,13-15H,2-3,7,10H2,1H3