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

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

Systemtic Name:5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-phenylhexanoate
Openeye Name:5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylhexanoate
CAS Name:2-phenylhexanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester
IUPAC Name:5-(3,5-dioxopiperazin-1-yl)pentyl 2-phenylhexanoate
Traditional Name:2-phenylhexanoic acid 5-(3,5-diketopiperazino)pentyl ester
Formula: C21H30N2O4
MolecularWeight: 374.4739
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(=O)OCCCCCN2CC(=O)NC(=O)C2


Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(=O)OCCCCCN2CC(=O)NC(=O)C2


InChI

InChI=1S/C21H30N2O4/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/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3,(H,22,24,25)


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