3-[1,3-bis(oxidanylidene)-5-(propanoylamino)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(propanoylamino)isoindol-2-yl]propanoic acid Openeye Name: 3-[1,3-dioxo-5-(propanoylamino)isoindolin-2-yl]propanoic acid CAS Name: 3-[1,3-dioxo-5-(1-oxopropylamino)-2-isoindolyl]propanoic acid IUPAC Name: 3-[1,3-dioxo-5-(propanoylamino)isoindol-2-yl]propanoic acid Traditional Name: 3-(1,3-diketo-5-propionamido-isoindolin-2-yl)propionic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

InChI

InChI=1S/C14H14N2O5/c1-2-11(17)15-8-3-4-9-10(7-8)14(21)16(13(9)20)6-5-12(18)19/h3-4,7H,2,5-6H2,1H3,(H,15,17)(H,18,19)