methyl 2-(5-fluoranyl-1-oxidanyl-pentan-2-yl)-6-(4-iodophenyl)benzoate

Systemtic Name: methyl 2-(5-fluoranyl-1-oxidanyl-pentan-2-yl)-6-(4-iodophenyl)benzoate Openeye Name: methyl 2-[4-fluoro-1-(hydroxymethyl)butyl]-6-(4-iodophenyl)benzoate CAS Name: 2-(5-fluoro-1-hydroxypentan-2-yl)-6-(4-iodophenyl)benzoic acid methyl ester IUPAC Name: methyl 2-(5-fluoro-1-hydroxypentan-2-yl)-6-(4-iodophenyl)benzoate Traditional Name: 2-(4-fluoro-1-methylol-butyl)-6-(4-iodophenyl)benzoic acid methyl ester Formula: C19H20FIO3 MolecularWeight: 442.263173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1C(CCCF)CO)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)C1=C(C=CC=C1C(CCCF)CO)C2=CC=C(C=C2)I

InChI

InChI=1S/C19H20FIO3/c1-24-19(23)18-16(13-7-9-15(21)10-8-13)5-2-6-17(18)14(12-22)4-3-11-20/h2,5-10,14,22H,3-4,11-12H2,1H3