tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 2-(3-oxoisoindolin-4-yl)indole-1-carboxylate CAS Name: 2-(3-oxo-1,2-dihydroisoindol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Traditional Name: 2-(3-ketoisoindolin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=C4C(=CC=C3)CNC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=C4C(=CC=C3)CNC4=O

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)26-20(25)23-16-10-5-4-7-13(16)11-17(23)15-9-6-8-14-12-22-19(24)18(14)15/h4-11H,12H2,1-3H3,(H,22,24)