2-[[(4-bromanyl-2-chloranyl-phenyl)-(2-carboxyethyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[(4-bromanyl-2-chloranyl-phenyl)-(2-carboxyethyl)amino]methyl]benzoic acid Openeye Name: 2-[[4-bromo-N-(2-carboxyethyl)-2-chloro-anilino]methyl]benzoic acid CAS Name: 2-[[4-bromo-N-(2-carboxyethyl)-2-chloroanilino]methyl]benzoic acid IUPAC Name: 2-[[4-bromo-N-(2-carboxyethyl)-2-chloroanilino]methyl]benzoic acid Traditional Name: 2-[[4-bromo-N-(2-carboxyethyl)-2-chloro-anilino]methyl]benzoic acid Formula: C17H15BrClNO4 MolecularWeight: 412.6623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CCC(=O)O)C2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN(CCC(=O)O)C2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C17H15BrClNO4/c18-12-5-6-15(14(19)9-12)20(8-7-16(21)22)10-11-3-1-2-4-13(11)17(23)24/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24)