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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H24FNO4/c1-2-3-4-5-22-27-14-18(15-28-22)23(26)29-19-9-7-17(8-10-19)20-11-6-16(13-25)12-21(20)24/h6-12,18,22H,2-5,14-15H2,1H3