tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-ethoxy-2-oxo-ethyl)-3-oxo-isoindolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-ethoxy-2-oxoethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-ethoxy-2-oxoethyl)-3-oxo-1H-isoindol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-ethoxy-2-keto-ethyl)-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:

CCOC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O5/c1-5-28-18(25)14-24-13-15-6-7-16(12-17(15)19(24)26)22-8-10-23(11-9-22)20(27)29-21(2,3)4/h6-7,12H,5,8-11,13-14H2,1-4H3