ethyl 4-(4-bromanyl-3-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate

Systemtic Name: ethyl 4-(4-bromanyl-3-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate Openeye Name: ethyl 4-(4-bromo-3-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate CAS Name: 4-(4-bromo-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate Traditional Name: 4-(4-bromo-3-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid ethyl ester Formula: C16H20BrF3O4 MolecularWeight: 413.22681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)(C)C1=CC(=C(C=C1)Br)OC)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(CC(C)(C)C1=CC(=C(C=C1)Br)OC)(C(F)(F)F)O

InChI

InChI=1S/C16H20BrF3O4/c1-5-24-13(21)15(22,16(18,19)20)9-14(2,3)10-6-7-11(17)12(8-10)23-4/h6-8,22H,5,9H2,1-4H3