tert-butyl 4-(2-butanoyloxy-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-butanoyloxy-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-butanoyloxy-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-[3-oxo-2-(1-oxobutoxy)-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-butanoyloxy-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-butyryloxy-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)ON1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O5/c1-5-6-18(25)29-24-14-15-7-8-16(13-17(15)19(24)26)22-9-11-23(12-10-22)20(27)28-21(2,3)4/h7-8,13H,5-6,9-12,14H2,1-4H3