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

Systemtic Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]phenyl]piperidine-1-carboxylate CAS Name: 4-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5/c1-15(26)23-14-25-13-19(20(27)30-25)18-7-5-16(6-8-18)17-9-11-24(12-10-17)21(28)29-22(2,3)4/h5-8,13,17H,9-12,14H2,1-4H3,(H,23,26)