(2S,4R)-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-1-(2-bromo-5-methoxy-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(2-bromo-5-methoxyphenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-1-(2-bromo-5-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(2-bromo-5-methoxy-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H13BrNO5- MolecularWeight: 343.15002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CC(CC2C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O

InChI

InChI=1S/C13H14BrNO5/c1-20-8-2-3-10(14)9(5-8)12(17)15-6-7(16)4-11(15)13(18)19/h2-3,5,7,11,16H,4,6H2,1H3,(H,18,19)/p-1/t7-,11+/m1/s1