ethyl 4-(5-fluoranyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate

Systemtic Name: ethyl 4-(5-fluoranyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate Openeye Name: ethyl 4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate CAS Name: 4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate Traditional Name: 4-(5-fluorocoumaran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid ethyl ester Formula: C17H20F4O4 MolecularWeight: 364.331913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)(C)C1=C2C(=CC(=C1)F)CCO2)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(CC(C)(C)C1=C2C(=CC(=C1)F)CCO2)(C(F)(F)F)O

InChI

InChI=1S/C17H20F4O4/c1-4-24-14(22)16(23,17(19,20)21)9-15(2,3)12-8-11(18)7-10-5-6-25-13(10)12/h7-8,23H,4-6,9H2,1-3H3