3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-methylpentanoate; (phenylmethyl) carbamate

Systemtic Name: 3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-methylpentanoate; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl 2-methylpentanoate CAS Name: carbamic acid (phenylmethyl) ester; 2-methylpentanoic acid 3,5-bis(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: benzyl carbamate; 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl 2-methylpentanoate Traditional Name: carbamic acid benzyl ester; 2-methylvaleric acid 3,5-bis(3,5-diketopiperazino)pentyl ester Formula: C27H39N5O8 MolecularWeight: 561.62726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O6.C8H9NO2/c1-3-4-13(2)19(28)29-8-6-14(23-11-17(26)21-18(27)12-23)5-7-22-9-15(24)20-16(25)10-22;9-8(10)11-6-7-4-2-1-3-5-7/h13-14H,3-12H2,1-2H3,(H,20,24,25)(H,21,26,27);1-5H,6H2,(H2,9,10)