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

Systemtic Name: [4-(2-fluoranyl-4-pentoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-fluoro-4-pentoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-pentoxyphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-pentoxyphenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(4-amoxy-2-fluoro-phenyl)phenyl] ester Formula: C27H35FO5 MolecularWeight: 458.562203

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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)OCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO5/c1-3-5-7-9-26-31-18-21(19-32-26)27(29)33-22-12-10-20(11-13-22)24-15-14-23(17-25(24)28)30-16-8-6-4-2/h10-15,17,21,26H,3-9,16,18-19H2,1-2H3