2-[[2-carboxyethyl-(3-fluorophenyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[2-carboxyethyl-(3-fluorophenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-carboxyethyl)-3-fluoro-anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-carboxyethyl)-3-fluoroanilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-carboxyethyl)-3-fluoroanilino]methyl]benzoic acid Traditional Name: 2-[[N-(2-carboxyethyl)-3-fluoro-anilino]methyl]benzoic acid Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO4/c18-13-5-3-6-14(10-13)19(9-8-16(20)21)11-12-4-1-2-7-15(12)17(22)23/h1-7,10H,8-9,11H2,(H,20,21)(H,22,23)