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

Systemtic Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-15(26)22-14-25-13-18(19(27)30-25)16-5-7-17(8-6-16)23-9-11-24(12-10-23)20(28)29-21(2,3)4/h5-8,13H,9-12,14H2,1-4H3,(H,22,26)