ethyl (2S)-2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)hexanoate

Systemtic Name: ethyl (2S)-2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)hexanoate Openeye Name: ethyl (2S)-2-(5-amino-1-oxo-isoindolin-2-yl)hexanoate CAS Name: (2S)-2-(6-amino-3-oxo-1H-isoindol-2-yl)hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(6-amino-3-oxo-1H-isoindol-2-yl)hexanoate Traditional Name: (2S)-2-(5-amino-1-keto-isoindolin-2-yl)hexanoic acid ethyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1CC2=C(C1=O)C=CC(=C2)N

Isomeric SMILES

CCCC[C@@H](C(=O)OCC)N1CC2=C(C1=O)C=CC(=C2)N

InChI

InChI=1S/C16H22N2O3/c1-3-5-6-14(16(20)21-4-2)18-10-11-9-12(17)7-8-13(11)15(18)19/h7-9,14H,3-6,10,17H2,1-2H3/t14-/m0/s1