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

Systemtic Name: phenethyl 2-[(2S)-1-hexanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[(2S)-1-hexanoyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(1-oxohexyl)-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[(2S)-1-hexanoyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-caproyl-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-2-3-5-10-18(23)22-13-12-21-20(25)17(22)15-19(24)26-14-11-16-8-6-4-7-9-16/h4,6-9,17H,2-3,5,10-15H2,1H3,(H,21,25)/t17-/m0/s1