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

Systemtic Name: 3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl butanoate; tert-butyl carbamate Openeye Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl butanoate; tert-butyl carbamate CAS Name: butanoic acid 3,5-bis(3,5-dioxo-1-piperazinyl)pentyl ester; carbamic acid tert-butyl ester IUPAC Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl butanoate; tert-butyl carbamate Traditional Name: butyric acid 3,5-bis(3,5-diketopiperazino)pentyl ester; carbamic acid tert-butyl ester Formula: C22H37N5O8 MolecularWeight: 499.55788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CCCC(=O)OCCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C17H26N4O6.C5H11NO2/c1-2-3-17(26)27-7-5-12(21-10-15(24)19-16(25)11-21)4-6-20-8-13(22)18-14(23)9-20;1-5(2,3)8-4(6)7/h12H,2-11H2,1H3,(H,18,22,23)(H,19,24,25);1-3H3,(H2,6,7)