3-[(4-bromophenyl)-(2-carboxyethyl)amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)-(2-carboxyethyl)amino]propanoic acid Openeye Name: 3-[4-bromo-N-(2-carboxyethyl)anilino]propanoic acid CAS Name: 3-[4-bromo-N-(2-carboxyethyl)anilino]propanoic acid IUPAC Name: 3-[4-bromo-N-(2-carboxyethyl)anilino]propanoic acid Traditional Name: 3-[4-bromo-N-(2-carboxyethyl)anilino]propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)O)CCC(=O)O)Br

InChI

InChI=1S/C12H14BrNO4/c13-9-1-3-10(4-2-9)14(7-5-11(15)16)8-6-12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)