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

Systemtic Name: prop-2-ynyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: prop-2-ynyl 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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl 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 propargyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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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)OCC#C

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C20H22N4O5/c1-3-12-28-20(27)23-10-8-22(9-11-23)17-6-4-16(5-7-17)18-13-24(29-19(18)26)14-21-15(2)25/h1,4-7,13H,8-12,14H2,2H3,(H,21,25)