3-[methyl-[[3-oxidanylidene-2-(2-piperidin-4-ylethyl)-1H-isoindol-5-yl]carbonyl]amino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)C1=CC2=C(CN(C2=O)CCC3CCNCC3)C=C1

Isomeric SMILES

CN(CCC(=O)O)C(=O)C1=CC2=C(CN(C2=O)CCC3CCNCC3)C=C1

InChI

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