1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]isonipecotic acid Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C16H21ClN2O3/c1-10-7-11(2)15(13(17)8-10)18-14(20)9-19-5-3-12(4-6-19)16(21)22/h7-8,12H,3-6,9H2,1-2H3,(H,18,20)(H,21,22)