(3E)-3-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-2-(2-methylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione

Systemtic Name: (3E)-3-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-2-(2-methylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione Openeye Name: (3E)-6-benzyloxy-3-[tert-butoxy(hydroxy)methylene]-2-isobutyl-isoquinoline-1,4-dione CAS Name: (3E)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-2-(2-methylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione IUPAC Name: (3E)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-2-(2-methylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione Traditional Name: (3E)-6-benzoxy-3-[tert-butoxy(hydroxy)methylene]-2-isobutyl-isoquinoline-1,4-quinone Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-16(2)14-26-21(24(29)31-25(3,4)5)22(27)20-13-18(11-12-19(20)23(26)28)30-15-17-9-7-6-8-10-17/h6-13,16,29H,14-15H2,1-5H3/b24-21+