(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl (2R)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl (2R)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl (2R)-5-oxopyrrolidine-2-carboxylate CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl (2R)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-5-ketopyrrolidine-2-carboxylic acid (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3CCC(=O)N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)[C@H]3CCC(=O)N3

InChI

InChI=1S/C17H16BrNO6/c1-2-23-17(22)15-11(10-7-9(18)3-5-13(10)25-15)8-24-16(21)12-4-6-14(20)19-12/h3,5,7,12H,2,4,6,8H2,1H3,(H,19,20)/t12-/m1/s1