tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-(2-morpholinoethoxy)-2-(3-oxoisoindolin-4-yl)indole-1-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethoxy]-2-(3-oxo-1,2-dihydroisoindol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Traditional Name: 2-(3-ketoisoindolin-4-yl)-5-(2-morpholinoethoxy)indole-1-carboxylic acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCCN3CCOCC3)C=C1C4=C5C(=CC=C4)CNC5=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCCN3CCOCC3)C=C1C4=C5C(=CC=C4)CNC5=O

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)35-26(32)30-22-8-7-20(34-14-11-29-9-12-33-13-10-29)15-19(22)16-23(30)21-6-4-5-18-17-28-25(31)24(18)21/h4-8,15-16H,9-14,17H2,1-3H3,(H,28,31)