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

Systemtic Name: 3-[2-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]cyclohexyl]propanoic acid Openeye Name: 3-[2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]cyclohexyl]propanoic acid CAS Name: 3-[2-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]cyclohexyl]propanoic acid IUPAC Name: 3-[2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclohexyl]propanoic acid Traditional Name: 3-[2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]cyclohexyl]propionic acid Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCCC3CCC(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCCC3CCC(=O)O

InChI

InChI=1S/C20H22ClFN2O4/c1-11-17(19(24-28-11)18-13(21)6-4-7-14(18)22)20(27)23-15-8-3-2-5-12(15)9-10-16(25)26/h4,6-7,12,15H,2-3,5,8-10H2,1H3,(H,23,27)(H,25,26)