(4-cyanophenyl) 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-cyanophenyl) 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C17H20FNO4 MolecularWeight: 321.343403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N)F

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C17H20FNO4/c1-2-3-4-9-17(18)21-11-14(12-22-17)16(20)23-15-7-5-13(10-19)6-8-15/h5-8,14H,2-4,9,11-12H2,1H3