3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione Openeye Name: 6-benzyloxy-3-(dihydroxymethylene)-2-(2,2-dimethylpropyl)isoquinoline-1,4-dione CAS Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione IUPAC Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione Traditional Name: 6-benzoxy-3-(dihydroxymethylene)-2-neopentyl-isoquinoline-1,4-quinone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(O)O)C(=O)C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CN1C(=C(O)O)C(=O)C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-22(2,3)13-23-18(21(26)27)19(24)17-11-15(9-10-16(17)20(23)25)28-12-14-7-5-4-6-8-14/h4-11,26-27H,12-13H2,1-3H3