3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(1-oxo-6-piperazin-1-yl-isoindolin-2-yl)acetyl]amino]butanoic acid CAS Name: 3-[[1-oxo-2-[3-oxo-5-(1-piperazinyl)-1H-isoindol-2-yl]ethyl]amino]butanoic acid IUPAC Name: 3-[[2-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(1-keto-6-piperazino-isoindolin-2-yl)acetyl]amino]butyric acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(CC(=O)O)NC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C18H24N4O4/c1-12(8-17(24)25)20-16(23)11-22-10-13-2-3-14(9-15(13)18(22)26)21-6-4-19-5-7-21/h2-3,9,12,19H,4-8,10-11H2,1H3,(H,20,23)(H,24,25)