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

Systemtic Name: 3-phenylpropyl 2-[(2S)-1-hexanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[(2S)-1-hexanoyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(1-oxohexyl)-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(2S)-1-hexanoyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-caproyl-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-2-3-5-12-19(24)23-14-13-22-21(26)18(23)16-20(25)27-15-8-11-17-9-6-4-7-10-17/h4,6-7,9-10,18H,2-3,5,8,11-16H2,1H3,(H,22,26)/t18-/m0/s1