2-[3,6-bis(oxidanylidene)-5-(phenylmethyl)-4-propyl-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[3,6-bis(oxidanylidene)-5-(phenylmethyl)-4-propyl-piperazin-2-yl]ethanoic acid Openeye Name: 2-(5-benzyl-3,6-dioxo-4-propyl-piperazin-2-yl)acetic acid CAS Name: 2-[3,6-dioxo-5-(phenylmethyl)-4-propyl-2-piperazinyl]acetic acid IUPAC Name: 2-(5-benzyl-3,6-dioxo-4-propylpiperazin-2-yl)acetic acid Traditional Name: 2-(5-benzyl-3,6-diketo-4-propyl-piperazin-2-yl)acetic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(=O)NC(C1=O)CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCN1C(C(=O)NC(C1=O)CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4/c1-2-8-18-13(9-11-6-4-3-5-7-11)15(21)17-12(16(18)22)10-14(19)20/h3-7,12-13H,2,8-10H2,1H3,(H,17,21)(H,19,20)