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

Systemtic Name: hexyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C23H31FN4O5 MolecularWeight: 462.514443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O5/c1-3-4-5-6-13-32-23(31)27-11-9-26(10-12-27)21-8-7-18(14-20(21)24)19-15-28(33-22(19)30)16-25-17(2)29/h7-8,14-15H,3-6,9-13,16H2,1-2H3,(H,25,29)