5-oxidanylidene-6-[(4-phenylmethoxyphenyl)methyl]piperazine-1,3-dicarboxylic acid

Systemtic Name: 5-oxidanylidene-6-[(4-phenylmethoxyphenyl)methyl]piperazine-1,3-dicarboxylic acid Openeye Name: 6-[(4-benzyloxyphenyl)methyl]-5-oxo-piperazine-1,3-dicarboxylic acid CAS Name: 5-oxo-6-[(4-phenylmethoxyphenyl)methyl]piperazine-1,3-dicarboxylic acid IUPAC Name: 5-oxo-6-[(4-phenylmethoxyphenyl)methyl]piperazine-1,3-dicarboxylic acid Traditional Name: 6-(4-benzoxybenzyl)-5-keto-piperazine-1,3-dicarboxylic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(N1C(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(N1C(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20N2O6/c23-18-17(22(20(26)27)11-16(21-18)19(24)25)10-13-6-8-15(9-7-13)28-12-14-4-2-1-3-5-14/h1-9,16-17H,10-12H2,(H,21,23)(H,24,25)(H,26,27)