ethyl (2S)-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]propanoate

Systemtic Name: ethyl (2S)-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]propanoate Openeye Name: ethyl (2S)-2-[(3S)-3-benzyl-2-oxo-piperazin-1-yl]propanoate CAS Name: (2S)-2-[(3S)-2-oxo-3-(phenylmethyl)-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]propanoate Traditional Name: (2S)-2-[(3S)-3-benzyl-2-keto-piperazino]propionic acid ethyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCNC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](C)N1CCN[C@H](C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-3-21-16(20)12(2)18-10-9-17-14(15(18)19)11-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3/t12-,14-/m0/s1