3-[3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]propanoic acid

Systemtic Name: 3-[3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]propanoic acid Openeye Name: 3-(5-benzyl-3,6-dioxo-piperazin-2-yl)propanoic acid CAS Name: 3-[3,6-dioxo-5-(phenylmethyl)-2-piperazinyl]propanoic acid IUPAC Name: 3-(5-benzyl-3,6-dioxopiperazin-2-yl)propanoic acid Traditional Name: 3-(5-benzyl-3,6-diketo-piperazin-2-yl)propionic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CCC(=O)O

InChI

InChI=1S/C14H16N2O4/c17-12(18)7-6-10-13(19)16-11(14(20)15-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,20)(H,16,19)(H,17,18)