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

Systemtic Name: tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(3-oxoisoindolin-4-yl)indole-1-carboxylate CAS Name: 2-(3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-2-(3-ketoisoindolin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=C5C(=CC=C4)CNC5=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=C5C(=CC=C4)CNC5=O

InChI

InChI=1S/C28H26N2O4/c1-28(2,3)34-27(32)30-23-13-12-21(33-17-18-8-5-4-6-9-18)14-20(23)15-24(30)22-11-7-10-19-16-29-26(31)25(19)22/h4-15H,16-17H2,1-3H3,(H,29,31)