hexyl 3-[3,3-bis(fluoranyl)-2-oxidanylidene-azetidin-1-yl]-4-(bromomethyl)benzoate

Systemtic Name: hexyl 3-[3,3-bis(fluoranyl)-2-oxidanylidene-azetidin-1-yl]-4-(bromomethyl)benzoate Openeye Name: hexyl 4-(bromomethyl)-3-(3,3-difluoro-2-oxo-azetidin-1-yl)benzoate CAS Name: 4-(bromomethyl)-3-(3,3-difluoro-2-oxo-1-azetidinyl)benzoic acid hexyl ester IUPAC Name: hexyl 4-(bromomethyl)-3-(3,3-difluoro-2-oxoazetidin-1-yl)benzoate Traditional Name: 4-(bromomethyl)-3-(3,3-difluoro-2-keto-azetidin-1-yl)benzoic acid hexyl ester Formula: C17H20BrF2NO3 MolecularWeight: 404.246406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(C=C1)CBr)N2CC(C2=O)(F)F

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(C=C1)CBr)N2CC(C2=O)(F)F

InChI

InChI=1S/C17H20BrF2NO3/c1-2-3-4-5-8-24-15(22)12-6-7-13(10-18)14(9-12)21-11-17(19,20)16(21)23/h6-7,9H,2-5,8,10-11H2,1H3