5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-phenylpropanoate; tert-butyl carbamate

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-phenylpropanoate; tert-butyl carbamate Openeye Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylpropanoate CAS Name: carbamic acid tert-butyl ester; 2-phenylpropanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylpropanoate Traditional Name: carbamic acid tert-butyl ester; 2-phenylpropionic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C23H35N3O6 MolecularWeight: 449.5405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OCCCCCN2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OCCCCCN2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C18H24N2O4.C5H11NO2/c1-14(15-8-4-2-5-9-15)18(23)24-11-7-3-6-10-20-12-16(21)19-17(22)13-20;1-5(2,3)8-4(6)7/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21,22);1-3H3,(H2,6,7)