ethyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]-2-fluorophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]-2-fluoro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23FN4O5 MolecularWeight: 406.408123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CN(OC3=O)CNC(=O)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CN(OC3=O)CNC(=O)C)F

InChI

InChI=1S/C19H23FN4O5/c1-3-28-19(27)23-8-6-22(7-9-23)17-5-4-14(10-16(17)20)15-11-24(29-18(15)26)12-21-13(2)25/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,25)