5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl propanoate; tert-butyl carbamate

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl propanoate; tert-butyl carbamate Openeye Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl propanoate CAS Name: carbamic acid tert-butyl ester; propanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl propanoate Traditional Name: carbamic acid tert-butyl ester; propionic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C17H31N3O6 MolecularWeight: 373.44454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCCCN1CC(=O)NC(=O)C1.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC(=O)OCCCCCN1CC(=O)NC(=O)C1.CC(C)(C)OC(=O)N

InChI

InChI=1S/C12H20N2O4.C5H11NO2/c1-2-12(17)18-7-5-3-4-6-14-8-10(15)13-11(16)9-14;1-5(2,3)8-4(6)7/h2-9H2,1H3,(H,13,15,16);1-3H3,(H2,6,7)