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

Systemtic Name: 2-[[2-carboxyethyl-(4-methylphenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-carboxyethyl)-4-methyl-anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-carboxyethyl)-4-methylanilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-carboxyethyl)-4-methylanilino]methyl]benzoic acid Traditional Name: 2-[[N-(2-carboxyethyl)-4-methyl-anilino]methyl]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO4/c1-13-6-8-15(9-7-13)19(11-10-17(20)21)12-14-4-2-3-5-16(14)18(22)23/h2-9H,10-12H2,1H3,(H,20,21)(H,22,23)