[(1S,2S)-2-azanyl-3,3-bis(fluoranyl)cyclopentyl]methyl 4-bromanylbenzoate

Systemtic Name: [(1S,2S)-2-azanyl-3,3-bis(fluoranyl)cyclopentyl]methyl 4-bromanylbenzoate Openeye Name: [(1S,2S)-2-amino-3,3-difluoro-cyclopentyl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,2S)-2-amino-3,3-difluorocyclopentyl]methyl ester IUPAC Name: [(1S,2S)-2-amino-3,3-difluorocyclopentyl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2S)-2-amino-3,3-difluoro-cyclopentyl]methyl ester Formula: C13H14BrF2NO2 MolecularWeight: 334.156566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1COC(=O)C2=CC=C(C=C2)Br)N)(F)F

Isomeric SMILES

C1CC([C@H]([C@H]1COC(=O)C2=CC=C(C=C2)Br)N)(F)F

InChI

InChI=1S/C13H14BrF2NO2/c14-10-3-1-8(2-4-10)12(18)19-7-9-5-6-13(15,16)11(9)17/h1-4,9,11H,5-7,17H2/t9-,11+/m1/s1