ditert-butyl 2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate

Systemtic Name: ditert-butyl 2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: ditert-butyl 2-(5-amino-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: 2-(5-amino-1-keto-isoindolin-2-yl)glutaric acid ditert-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)N1CC2=C(C1=O)C=CC(=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)N1CC2=C(C1=O)C=CC(=C2)N

InChI

InChI=1S/C21H30N2O5/c1-20(2,3)27-17(24)10-9-16(19(26)28-21(4,5)6)23-12-13-11-14(22)7-8-15(13)18(23)25/h7-8,11,16H,9-10,12,22H2,1-6H3