4-(3-oxidanylidene-1H-isoindol-2-yl)butanoic acid

Systemtic Name: 4-(3-oxidanylidene-1H-isoindol-2-yl)butanoic acid Openeye Name: 4-(1-oxoisoindolin-2-yl)butanoic acid CAS Name: 4-(3-oxo-1H-isoindol-2-yl)butanoic acid IUPAC Name: 4-(3-oxo-1H-isoindol-2-yl)butanoic acid Traditional Name: 4-(1-ketoisoindolin-2-yl)butyric acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1CCCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CCCC(=O)O

InChI

InChI=1S/C12H13NO3/c14-11(15)6-3-7-13-8-9-4-1-2-5-10(9)12(13)16/h1-2,4-5H,3,6-8H2,(H,14,15)