tert-butyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-(3-phthalimidopropanoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)28-19(27)22-12-10-21(11-13-22)16(24)8-9-23-17(25)14-6-4-5-7-15(14)18(23)26/h4-7H,8-13H2,1-3H3