4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidine-4-carboxylic acid Openeye Name: 4-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-1-(2-hydroxy-1-methyl-2-oxo-ethyl)piperidine-4-carboxylic acid CAS Name: 4-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-1-(1-hydroxy-1-oxopropan-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-(1-hydroxy-1-oxopropan-2-yl)piperidine-4-carboxylic acid Traditional Name: 4-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-1-(2-hydroxy-2-keto-1-methyl-ethyl)isonipecotic acid Formula: C17H20ClFN2O5 MolecularWeight: 386.802503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C(=O)O)N1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H20ClFN2O5/c1-10(15(23)24)21-7-5-17(6-8-21,16(25)26)20-14(22)9-11-12(18)3-2-4-13(11)19/h2-4,10H,5-9H2,1H3,(H,20,22)(H,23,24)(H,25,26)