2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoic acid; piperazine

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoic acid; piperazine Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid; piperazine CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid; piperazine IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid; piperazine Traditional Name: 3-methyl-2-phthalimido-butyric acid; piperazine Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O.C1CNCCN1

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O.C1CNCCN1

InChI

InChI=1S/C13H13NO4.C4H10N2/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16;1-2-6-4-3-5-1/h3-7,10H,1-2H3,(H,17,18);5-6H,1-4H2