2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoic acid; piperazine

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoic acid; piperazine Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoic acid; piperazine CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid; piperazine IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid; piperazine Traditional Name: 4-methyl-2-phthalimido-valeric acid; piperazine Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4.C4H10N2/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17;1-2-6-4-3-5-1/h3-6,8,11H,7H2,1-2H3,(H,18,19);5-6H,1-4H2