(3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C13H13BrNO5- MolecularWeight: 343.15002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CC(CC2=O)C(=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2C[C@H](CC2=O)C(=O)[O-])Br)O

InChI

InChI=1S/C13H14BrNO5/c1-20-10-3-7(2-9(14)12(10)17)5-15-6-8(13(18)19)4-11(15)16/h2-3,8,17H,4-6H2,1H3,(H,18,19)/p-1/t8-/m0/s1