[2-oxidanylidene-2-(phenethylamino)ethyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H18ClFN2O4/c1-13-18(20(25-29-13)19-15(22)8-5-9-16(19)23)21(27)28-12-17(26)24-11-10-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,24,26)