(3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-22(2,3)18(24)13-28-21(27)15-9-10-16-17(11-15)20(26)23(19(16)25)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3