3-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]piperidine-1-carboxylic acid

Systemtic Name: 3-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]piperidine-1-carboxylic acid Openeye Name: 3-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]piperidine-1-carboxylic acid CAS Name: 3-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]piperidine-1-carboxylic acid Traditional Name: 3-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]piperidine-1-carboxylic acid Formula: C17H17ClFN3O4 MolecularWeight: 381.785983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCN(C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCN(C3)C(=O)O

InChI

InChI=1S/C17H17ClFN3O4/c1-9-13(15(21-26-9)14-11(18)5-2-6-12(14)19)16(23)20-10-4-3-7-22(8-10)17(24)25/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,23)(H,24,25)