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

Systemtic Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C21H27FN4O5 MolecularWeight: 434.461283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN4O5/c1-14(27)23-13-26-12-16(19(28)31-26)15-5-6-18(17(22)11-15)24-7-9-25(10-8-24)20(29)30-21(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,27)