(phenylmethyl) 2-(1-octanoyl-3-oxidanylidene-piperazin-2-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(1-octanoyl-3-oxidanylidene-piperazin-2-yl)ethanoate Openeye Name: benzyl 2-(1-octanoyl-3-oxo-piperazin-2-yl)acetate CAS Name: 2-[3-oxo-1-(1-oxooctyl)-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-octanoyl-3-oxopiperazin-2-yl)acetate Traditional Name: 2-(1-caprylyl-3-keto-piperazin-2-yl)acetic acid benzyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-2-3-4-5-9-12-19(24)23-14-13-22-21(26)18(23)15-20(25)27-16-17-10-7-6-8-11-17/h6-8,10-11,18H,2-5,9,12-16H2,1H3,(H,22,26)