2-[[2-carboxyethyl-(3,5-dimethylphenyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[2-carboxyethyl-(3,5-dimethylphenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-carboxyethyl)-3,5-dimethyl-anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-carboxyethyl)-3,5-dimethylanilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-carboxyethyl)-3,5-dimethylanilino]methyl]benzoic acid Traditional Name: 2-[[N-(2-carboxyethyl)-3,5-dimethyl-anilino]methyl]benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-13-9-14(2)11-16(10-13)20(8-7-18(21)22)12-15-5-3-4-6-17(15)19(23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22)(H,23,24)