4-[[(4-carboxyphenyl)methyl-(3-chlorophenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-carboxyphenyl)methyl-(3-chlorophenyl)amino]methyl]benzoic acid Openeye Name: 4-[[N-[(4-carboxyphenyl)methyl]-3-chloro-anilino]methyl]benzoic acid CAS Name: 4-[[N-[(4-carboxyphenyl)methyl]-3-chloroanilino]methyl]benzoic acid IUPAC Name: 4-[[N-[(4-carboxyphenyl)methyl]-3-chloroanilino]methyl]benzoic acid Traditional Name: 4-[(N-(4-carboxybenzyl)-3-chloro-anilino)methyl]benzoic acid Formula: C22H18ClNO4 MolecularWeight: 395.83562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18ClNO4/c23-19-2-1-3-20(12-19)24(13-15-4-8-17(9-5-15)21(25)26)14-16-6-10-18(11-7-16)22(27)28/h1-12H,13-14H2,(H,25,26)(H,27,28)