tert-butyl 2-(6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(6-hydroxy-3-oxo-isoindolin-4-yl)indole-1-carboxylate CAS Name: 2-(6-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-2-(6-hydroxy-3-keto-isoindolin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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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=CC(=CC5=C4C(=O)NC5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=CC(=CC5=C4C(=O)NC5)O

InChI

InChI=1S/C28H26N2O5/c1-28(2,3)35-27(33)30-23-10-9-21(34-16-17-7-5-4-6-8-17)12-18(23)13-24(30)22-14-20(31)11-19-15-29-26(32)25(19)22/h4-14,31H,15-16H2,1-3H3,(H,29,32)