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

Systemtic Name: tert-butyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-dioxoisoindolin-2-yl)butyl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-dioxo-2-isoindolyl)butyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-dioxoisoindol-2-yl)butyl]piperazine-1-carboxylate Traditional Name: 4-(4-phthalimidobutyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-20(27)23-14-12-22(13-15-23)10-6-7-11-24-18(25)16-8-4-5-9-17(16)19(24)26/h4-5,8-9H,6-7,10-15H2,1-3H3