2-[[2-carboxyethyl-(3-chloranyl-4-methyl-phenyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[2-carboxyethyl-(3-chloranyl-4-methyl-phenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-carboxyethyl)-3-chloro-4-methyl-anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-carboxyethyl)-3-chloro-4-methylanilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-carboxyethyl)-3-chloro-4-methylanilino]methyl]benzoic acid Traditional Name: 2-[[N-(2-carboxyethyl)-3-chloro-4-methyl-anilino]methyl]benzoic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4/c1-12-6-7-14(10-16(12)19)20(9-8-17(21)22)11-13-4-2-3-5-15(13)18(23)24/h2-7,10H,8-9,11H2,1H3,(H,21,22)(H,23,24)