(phenylmethyl) 2-[(2S)-1-hexanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-1-hexanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[(2S)-1-hexanoyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(1-oxohexyl)-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-1-hexanoyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-caproyl-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O4/c1-2-3-5-10-17(22)21-12-11-20-19(24)16(21)13-18(23)25-14-15-8-6-4-7-9-15/h4,6-9,16H,2-3,5,10-14H2,1H3,(H,20,24)/t16-/m0/s1