methyl (2S)-4-(4-bromanyl-2-fluoranyl-phenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-4-(4-bromanyl-2-fluoranyl-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-4-(4-bromo-2-fluoro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S)-4-(4-bromo-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-bromo-2-fluorophenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S)-4-(4-bromo-2-fluoro-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H13BrFNO3 MolecularWeight: 318.138923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1)OC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)[C@@H]1CC(CN1)OC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H13BrFNO3/c1-17-12(16)10-5-8(6-15-10)18-11-3-2-7(13)4-9(11)14/h2-4,8,10,15H,5-6H2,1H3/t8?,10-/m0/s1