tert-butyl 5-azanyl-2-(7-cyano-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-(7-cyano-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-(4-cyano-1-oxo-isoindolin-2-yl)-5-oxo-pentanoate CAS Name: 5-amino-2-(7-cyano-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-(7-cyano-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate Traditional Name: 5-amino-2-(4-cyano-1-keto-isoindolin-2-yl)-5-keto-valeric acid tert-butyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N)N1CC2=C(C=CC=C2C1=O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)N)N1CC2=C(C=CC=C2C1=O)C#N

InChI

InChI=1S/C18H21N3O4/c1-18(2,3)25-17(24)14(7-8-15(20)22)21-10-13-11(9-19)5-4-6-12(13)16(21)23/h4-6,14H,7-8,10H2,1-3H3,(H2,20,22)