[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H23N3O6/c1-14(24)21-9-11-22(12-10-21)17(25)13-29-18(26)7-4-8-23-19(27)15-5-2-3-6-16(15)20(23)28/h2-3,5-6H,4,7-13H2,1H3