ethyl 2-[(2R,3R,6S)-3-methyl-5-oxidanylidene-6-(phenylmethyl)piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2R,3R,6S)-3-methyl-5-oxidanylidene-6-(phenylmethyl)piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2R,3R,6S)-6-benzyl-3-methyl-5-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R,3R,6S)-3-methyl-5-oxo-6-(phenylmethyl)-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,3R,6S)-6-benzyl-3-methyl-5-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R,3R,6S)-6-benzyl-5-keto-3-methyl-piperazin-2-yl]acetic acid ethyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(NC(=O)C(N1)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[C@@H]1[C@H](NC(=O)[C@@H](N1)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N2O3/c1-3-21-15(19)10-13-11(2)17-16(20)14(18-13)9-12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,17,20)/t11-,13-,14+/m1/s1