(2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: (2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-bromo-2-fluoro-phenoxy)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-bromo-2-fluorophenoxy)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-bromo-2-fluorophenoxy)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-bromo-2-fluoro-phenoxy)propan-1-one Formula: C17H17BrFNO3 MolecularWeight: 382.224183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H17BrFNO3/c1-8-15(10(3)21)9(2)20-16(8)17(22)11(4)23-14-6-5-12(18)7-13(14)19/h5-7,11,20H,1-4H3/t11-/m0/s1