3-[3-oxidanylidene-5-(2-piperidin-4-ylethylcarbamoyl)-1H-isoindol-2-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-5-(2-piperidin-4-ylethylcarbamoyl)-1H-isoindol-2-yl]propanoic acid Openeye Name: 3-[1-oxo-6-[2-(4-piperidyl)ethylcarbamoyl]isoindolin-2-yl]propanoic acid CAS Name: 3-[3-oxo-5-[oxo-[2-(4-piperidinyl)ethylamino]methyl]-1H-isoindol-2-yl]propanoic acid IUPAC Name: 3-[3-oxo-5-(2-piperidin-4-ylethylcarbamoyl)-1H-isoindol-2-yl]propanoic acid Traditional Name: 3-[1-keto-6-[2-(4-piperidyl)ethylcarbamoyl]isoindolin-2-yl]propionic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCNC(=O)C2=CC3=C(CN(C3=O)CCC(=O)O)C=C2

Isomeric SMILES

C1CNCCC1CCNC(=O)C2=CC3=C(CN(C3=O)CCC(=O)O)C=C2

InChI

InChI=1S/C19H25N3O4/c23-17(24)6-10-22-12-15-2-1-14(11-16(15)19(22)26)18(25)21-9-5-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)