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

Systemtic Name: [4-(4-butoxy-2-fluoranyl-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-butoxy-2-fluoro-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-butoxy-2-fluorophenyl)phenyl] ester IUPAC Name: [4-(4-butoxy-2-fluorophenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(4-butoxy-2-fluoro-phenyl)phenyl] ester Formula: C26H33FO5 MolecularWeight: 444.535623

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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)OCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C26H33FO5/c1-3-5-7-8-25-30-17-20(18-31-25)26(28)32-21-11-9-19(10-12-21)23-14-13-22(16-24(23)27)29-15-6-4-2/h9-14,16,20,25H,3-8,15,17-18H2,1-2H3