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

Systemtic Name: diethyl (2S)-2-(5-iodanyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: diethyl (2S)-2-(6-iodo-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: (2S)-2-(5-iodo-3-oxo-1H-isoindol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(5-iodo-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: (2S)-2-(6-iodo-1-keto-isoindolin-2-yl)glutaric acid diethyl ester Formula: C17H20INO5 MolecularWeight: 445.24887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20INO5/c1-3-23-15(20)8-7-14(17(22)24-4-2)19-10-11-5-6-12(18)9-13(11)16(19)21/h5-6,9,14H,3-4,7-8,10H2,1-2H3/t14-/m0/s1