2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C20H21BrFNO4 MolecularWeight: 438.287443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)COC3=C(C=C(C=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)COC3=C(C=C(C=C3)Br)F)OC

InChI

InChI=1S/C20H21BrFNO4/c1-25-18-7-5-13(10-19(18)26-2)16-4-3-9-23(16)20(24)12-27-17-8-6-14(21)11-15(17)22/h5-8,10-11,16H,3-4,9,12H2,1-2H3