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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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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)CN2CC(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)