tert-butyl 5-methoxy-2-(3-oxidanylidene-1,2-dihydroisoindol-1-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-2-(3-oxidanylidene-1,2-dihydroisoindol-1-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-2-(3-oxoisoindolin-1-yl)indole-1-carboxylate CAS Name: 5-methoxy-2-(3-oxo-1,2-dihydroisoindol-1-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-2-(3-oxo-1,2-dihydroisoindol-1-yl)indole-1-carboxylate Traditional Name: 2-(3-ketoisoindolin-1-yl)-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H22N2O4/c1-22(2,3)28-21(26)24-17-10-9-14(27-4)11-13(17)12-18(24)19-15-7-5-6-8-16(15)20(25)23-19/h5-12,19H,1-4H3,(H,23,25)