2-[2-(carboxymethyloxy)-4,5-dimethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)-4,5-dimethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-4,5-dimethyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[2-(carboxymethyloxy)-4,5-dimethylphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-4,5-dimethylphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[2-(carboxymethyloxy)-4,5-dimethyl-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1C)OCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18N2O5/c1-11-7-15(16(8-12(11)2)26-10-17(22)23)18(19(24)25)21-14-5-3-13(9-20)4-6-14/h3-8,18,21H,10H2,1-2H3,(H,22,23)(H,24,25)