4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1-(phenylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-benzyl-4-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazine-2-carboxylic acid CAS Name: 4-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]-1-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-benzyl-4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylic acid Traditional Name: 1-benzyl-4-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazine-2-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c24-12-17-6-8-19(9-7-17)27-15-20(31-23(27)30)14-25-10-11-26(21(16-25)22(28)29)13-18-4-2-1-3-5-18/h1-9,20-21H,10-11,13-16H2,(H,28,29)