1-(2-carboxyethyl)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-ethanoyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-ethanoyl-piperidine-4-carboxylic acid Openeye Name: 2-acetyl-1-(2-carboxyethyl)-4-(2-chloro-6-fluoro-phenyl)piperidine-4-carboxylic acid CAS Name: 2-acetyl-1-(2-carboxyethyl)-4-(2-chloro-6-fluorophenyl)-4-piperidinecarboxylic acid IUPAC Name: 2-acetyl-1-(2-carboxyethyl)-4-(2-chloro-6-fluorophenyl)piperidine-4-carboxylic acid Traditional Name: 2-acetyl-1-(2-carboxyethyl)-4-(2-chloro-6-fluoro-phenyl)isonipecotic acid Formula: C17H19ClFNO5 MolecularWeight: 371.787863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCN1CCC(=O)O)(C2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

CC(=O)C1CC(CCN1CCC(=O)O)(C2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C17H19ClFNO5/c1-10(21)13-9-17(16(24)25,6-8-20(13)7-5-14(22)23)15-11(18)3-2-4-12(15)19/h2-4,13H,5-9H2,1H3,(H,22,23)(H,24,25)