3-[[3-oxidanylidene-2-(2-piperidin-4-ylethyl)-1H-isoindol-5-yl]carbonylamino]butanoic acid

Systemtic Name: 3-[[3-oxidanylidene-2-(2-piperidin-4-ylethyl)-1H-isoindol-5-yl]carbonylamino]butanoic acid Openeye Name: 3-[[3-oxo-2-[2-(4-piperidyl)ethyl]isoindoline-5-carbonyl]amino]butanoic acid CAS Name: 3-[[oxo-[3-oxo-2-[2-(4-piperidinyl)ethyl]-1H-isoindol-5-yl]methyl]amino]butanoic acid IUPAC Name: 3-[[3-oxo-2-(2-piperidin-4-ylethyl)-1H-isoindole-5-carbonyl]amino]butanoic acid Traditional Name: 3-[[3-keto-2-[2-(4-piperidyl)ethyl]isoindoline-5-carbonyl]amino]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC2=C(CN(C2=O)CCC3CCNCC3)C=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC2=C(CN(C2=O)CCC3CCNCC3)C=C1

InChI

InChI=1S/C20H27N3O4/c1-13(10-18(24)25)22-19(26)15-2-3-16-12-23(20(27)17(16)11-15)9-6-14-4-7-21-8-5-14/h2-3,11,13-14,21H,4-10,12H2,1H3,(H,22,26)(H,24,25)