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

Systemtic Name: hexyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O5/c1-3-4-5-6-15-31-23(30)26-13-11-25(12-14-26)20-9-7-19(8-10-20)21-16-27(32-22(21)29)17-24-18(2)28/h7-10,16H,3-6,11-15,17H2,1-2H3,(H,24,28)