1-[2-[(2,3-dimethylphenyl)amino]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2,3-dimethylphenyl)amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(2,3-dimethylanilino)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(2,3-dimethylanilino)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-dimethylanilino)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,3-dimethylanilino)benzoyl]isonipecotic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H24N2O3/c1-14-6-5-9-18(15(14)2)22-19-8-4-3-7-17(19)20(24)23-12-10-16(11-13-23)21(25)26/h3-9,16,22H,10-13H2,1-2H3,(H,25,26)