2-(1-ethyl-3-oxidanylidene-2-phenyl-isoindol-1-yl)propanedioic acid

Systemtic Name: 2-(1-ethyl-3-oxidanylidene-2-phenyl-isoindol-1-yl)propanedioic acid Openeye Name: 2-(1-ethyl-3-oxo-2-phenyl-isoindolin-1-yl)propanedioic acid CAS Name: 2-(1-ethyl-3-oxo-2-phenyl-1-isoindolyl)propanedioic acid IUPAC Name: 2-(1-ethyl-3-oxo-2-phenylisoindol-1-yl)propanedioic acid Traditional Name: 2-(1-ethyl-3-keto-2-phenyl-isoindolin-1-yl)malonic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C(C(=O)O)C(=O)O

InChI

InChI=1S/C19H17NO5/c1-2-19(15(17(22)23)18(24)25)14-11-7-6-10-13(14)16(21)20(19)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,22,23)(H,24,25)