diethyl (2S)-2-(5-ethynyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate

Systemtic Name: diethyl (2S)-2-(5-ethynyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: diethyl (2S)-2-(6-ethynyl-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: (2S)-2-(5-ethynyl-3-oxo-1H-isoindol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(5-ethynyl-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: (2S)-2-(6-ethynyl-1-keto-isoindolin-2-yl)glutaric acid diethyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1CC2=C(C1=O)C=C(C=C2)C#C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N1CC2=C(C1=O)C=C(C=C2)C#C

InChI

InChI=1S/C19H21NO5/c1-4-13-7-8-14-12-20(18(22)15(14)11-13)16(19(23)25-6-3)9-10-17(21)24-5-2/h1,7-8,11,16H,5-6,9-10,12H2,2-3H3/t16-/m0/s1