ethyl (2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-5-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: ethyl (2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-5-(phenylmethyl)piperazine-1-carboxylate Openeye Name: ethyl (2S,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxo-5-(phenylmethyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: (2S,5S)-5-benzyl-2-(4-hydroxybenzyl)-3-keto-piperazine-1-carboxylic acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(NC(=O)C1CC2=CC=C(C=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C[C@@H](NC(=O)[C@@H]1CC2=CC=C(C=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-2-27-21(26)23-14-17(12-15-6-4-3-5-7-15)22-20(25)19(23)13-16-8-10-18(24)11-9-16/h3-11,17,19,24H,2,12-14H2,1H3,(H,22,25)/t17-,19-/m0/s1