1-[4-(1-benzofuran-2-yl)-3-bromanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-benzofuran-2-yl)-3-bromanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzofuran-2-yl)-3-bromo-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(2-benzofuranyl)-3-bromo-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzofuran-2-yl)-3-bromo-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzofuran-2-yl)-3-bromo-4-keto-butanoyl]proline Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC3=CC=CC=C3O2)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC3=CC=CC=C3O2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO5/c18-11(9-15(20)19-7-3-5-12(19)17(22)23)16(21)14-8-10-4-1-2-6-13(10)24-14/h1-2,4,6,8,11-12H,3,5,7,9H2,(H,22,23)