4-[[2,4-bis(bromanyl)butanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2,4-bis(bromanyl)butanoylamino]methyl]benzoic acid Openeye Name: 4-[(2,4-dibromobutanoylamino)methyl]benzoic acid CAS Name: 4-[[(2,4-dibromo-1-oxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[(2,4-dibromobutanoylamino)methyl]benzoic acid Traditional Name: 4-[(2,4-dibromobutanoylamino)methyl]benzoic acid Formula: C12H13Br2NO3 MolecularWeight: 379.04452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C(CCBr)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C(CCBr)Br)C(=O)O

InChI

InChI=1S/C12H13Br2NO3/c13-6-5-10(14)11(16)15-7-8-1-3-9(4-2-8)12(17)18/h1-4,10H,5-7H2,(H,15,16)(H,17,18)