ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: ethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: (2S)-2-phthalimidohexanoic acid ethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCC[C@@H](C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19NO4/c1-3-5-10-13(16(20)21-4-2)17-14(18)11-8-6-7-9-12(11)15(17)19/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1