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

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-phenylhexanoate; tert-butyl carbamate Openeye Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylhexanoate CAS Name: carbamic acid tert-butyl ester; 2-phenylhexanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: tert-butyl carbamate; 5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylhexanoate Traditional Name: carbamic acid tert-butyl ester; 2-phenylhexanoic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4.C5H11NO2/c1-2-3-12-18(17-10-6-4-7-11-17)21(26)27-14-9-5-8-13-23-15-19(24)22-20(25)16-23;1-5(2,3)8-4(6)7/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3,(H,22,24,25);1-3H3,(H2,6,7)