(3Z)-3-[ethoxy(oxidanyl)methylidene]-2-(2-methylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione

Systemtic Name: (3Z)-3-[ethoxy(oxidanyl)methylidene]-2-(2-methylpropyl)-6-phenylmethoxy-isoquinoline-1,4-dione Openeye Name: (3Z)-6-benzyloxy-3-[ethoxy(hydroxy)methylene]-2-isobutyl-isoquinoline-1,4-dione CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-2-(2-methylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione IUPAC Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-2-(2-methylpropyl)-6-phenylmethoxyisoquinoline-1,4-dione Traditional Name: (3Z)-6-benzoxy-3-[ethoxy(hydroxy)methylene]-2-isobutyl-isoquinoline-1,4-quinone Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)O

Isomeric SMILES

CCO/C(=C\1/C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)/O

InChI

InChI=1S/C23H25NO5/c1-4-28-23(27)20-21(25)19-12-17(29-14-16-8-6-5-7-9-16)10-11-18(19)22(26)24(20)13-15(2)3/h5-12,15,27H,4,13-14H2,1-3H3/b23-20-