diethyl (2S)-2-(6-azanyl-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate

Systemtic Name: diethyl (2S)-2-(6-azanyl-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: diethyl (2S)-2-(5-amino-3-hydroxy-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: (2S)-2-(6-amino-1-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(6-amino-1-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: (2S)-2-(5-amino-3-hydroxy-1-keto-isoindolin-2-yl)glutaric acid diethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(C2=C(C1=O)C=CC(=C2)N)O

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N1C(C2=C(C1=O)C=CC(=C2)N)O

InChI

InChI=1S/C17H22N2O6/c1-3-24-14(20)8-7-13(17(23)25-4-2)19-15(21)11-6-5-10(18)9-12(11)16(19)22/h5-6,9,13,16,22H,3-4,7-8,18H2,1-2H3/t13-,16?/m0/s1