(3E)-3-[methoxy(oxidanyl)methylidene]-2-(2-methylpropyl)-7-phenylmethoxy-isoquinoline-1,4-dione

Systemtic Name: (3E)-3-[methoxy(oxidanyl)methylidene]-2-(2-methylpropyl)-7-phenylmethoxy-isoquinoline-1,4-dione Openeye Name: (3E)-7-benzyloxy-3-[hydroxy(methoxy)methylene]-2-isobutyl-isoquinoline-1,4-dione CAS Name: (3E)-3-[hydroxy(methoxy)methylidene]-2-(2-methylpropyl)-7-phenylmethoxyisoquinoline-1,4-dione IUPAC Name: (3E)-3-[hydroxy(methoxy)methylidene]-2-(2-methylpropyl)-7-phenylmethoxyisoquinoline-1,4-dione Traditional Name: (3E)-7-benzoxy-3-[hydroxy(methoxy)methylene]-2-isobutyl-isoquinoline-1,4-quinone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN1/C(=C(\O)/OC)/C(=O)C2=C(C1=O)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-14(2)12-23-19(22(26)27-3)20(24)17-10-9-16(11-18(17)21(23)25)28-13-15-7-5-4-6-8-15/h4-11,14,26H,12-13H2,1-3H3/b22-19+