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

Systemtic Name: methyl (2S)-4-(2-bromanyl-4-chloranyl-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-4-(2-bromo-4-chloro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S)-4-(2-bromo-4-chlorophenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2-bromo-4-chlorophenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S)-4-(2-bromo-4-chloro-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H13BrClNO3 MolecularWeight: 334.59352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrClNO3/c1-17-12(16)10-5-8(6-15-10)18-11-3-2-7(14)4-9(11)13/h2-4,8,10,15H,5-6H2,1H3/t8?,10-/m0/s1