2-[[2-carboxyethyl-(4-chlorophenyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[2-carboxyethyl-(4-chlorophenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-carboxyethyl)-4-chloro-anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-carboxyethyl)-4-chloroanilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-carboxyethyl)-4-chloroanilino]methyl]benzoic acid Traditional Name: 2-[[N-(2-carboxyethyl)-4-chloro-anilino]methyl]benzoic acid Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4/c18-13-5-7-14(8-6-13)19(10-9-16(20)21)11-12-3-1-2-4-15(12)17(22)23/h1-8H,9-11H2,(H,20,21)(H,22,23)