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

Systemtic Name: [4-(2-fluoranyl-4-pentyl-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-fluoro-4-pentyl-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-pentylphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-pentylphenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(4-amyl-2-fluoro-phenyl)phenyl] ester Formula: C27H35FO4 MolecularWeight: 442.562803

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO4/c1-3-5-7-9-20-11-16-24(25(28)17-20)21-12-14-23(15-13-21)32-27(29)22-18-30-26(31-19-22)10-8-6-4-2/h11-17,22,26H,3-10,18-19H2,1-2H3