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

Systemtic Name: methyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21FN4O5 MolecularWeight: 392.381543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C18H21FN4O5/c1-12(24)20-11-23-10-14(17(25)28-23)13-3-4-16(15(19)9-13)21-5-7-22(8-6-21)18(26)27-2/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,24)