2-[3,6-bis(oxidanylidene)-1-(phenylmethyl)piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[3,6-bis(oxidanylidene)-1-(phenylmethyl)piperazin-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3,6-dioxo-piperazin-2-yl)acetic acid CAS Name: 2-[3,6-dioxo-1-(phenylmethyl)-2-piperazinyl]acetic acid IUPAC Name: 2-(1-benzyl-3,6-dioxopiperazin-2-yl)acetic acid Traditional Name: 2-(1-benzyl-3,6-diketo-piperazin-2-yl)acetic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(C(=O)N1)CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1C(=O)N(C(C(=O)N1)CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O4/c16-11-7-14-13(19)10(6-12(17)18)15(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,17,18)