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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H24FNO4 MolecularWeight: 397.439363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C23H24FNO4/c1-2-3-4-13-23(24)27-15-20(16-28-23)22(26)29-21-11-9-19(10-12-21)18-7-5-17(14-25)6-8-18/h5-12,20H,2-4,13,15-16H2,1H3