(2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-5-(phenylmethyl)-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: (2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-5-(phenylmethyl)-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: (2S,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-N-isopropyl-3-oxo-piperazine-1-carboxamide CAS Name: (2S,5S)-2-[(4-hydroxyphenyl)methyl]-3-oxo-5-(phenylmethyl)-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: (2S,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3-oxo-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: (2S,5S)-5-benzyl-2-(4-hydroxybenzyl)-N-isopropyl-3-keto-piperazine-1-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-15(2)23-22(28)25-14-18(12-16-6-4-3-5-7-16)24-21(27)20(25)13-17-8-10-19(26)11-9-17/h3-11,15,18,20,26H,12-14H2,1-2H3,(H,23,28)(H,24,27)/t18-,20-/m0/s1