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

Systemtic Name: 3-[[3-oxidanylidene-2-(2-piperidin-1-ylethyl)-1H-isoindol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3-oxo-2-[2-(1-piperidyl)ethyl]isoindoline-5-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-oxo-2-[2-(1-piperidinyl)ethyl]-1H-isoindol-5-yl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-oxo-2-(2-piperidin-1-ylethyl)-1H-isoindole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[3-keto-2-(2-piperidinoethyl)isoindoline-5-carbonyl]amino]propionic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CC3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CCN(CC1)CCN2CC3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C19H25N3O4/c23-17(24)6-7-20-18(25)14-4-5-15-13-22(19(26)16(15)12-14)11-10-21-8-2-1-3-9-21/h4-5,12H,1-3,6-11,13H2,(H,20,25)(H,23,24)