1,3-bis(bromanyl)propan-2-one; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1,3-bis(bromanyl)propan-2-one; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonylpyrrolidine-2-carboxylic acid; 1,3-dibromopropan-2-one CAS Name: 1,3-dibromo-2-propanone; 1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1,3-dibromopropan-2-one; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxyproline; 1,3-dibromoacetone Formula: C16H19Br2NO5 MolecularWeight: 465.13376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O.C(C(=O)CBr)Br

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O.C(C(=O)CBr)Br

InChI

InChI=1S/C13H15NO4.C3H4Br2O/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;4-1-3(6)2-5/h1-3,5-6,11H,4,7-9H2,(H,15,16);1-2H2