(4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(3-morpholin-4-ylpropyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(3-morpholin-4-ylpropyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(4-morpholinyl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyrrolidine-2,3-quinone Formula: C29H37N3O6 MolecularWeight: 523.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCCN4CCOCC4)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CCCN4CCOCC4)OCC

InChI

InChI=1S/C29H37N3O6/c1-3-5-17-38-23-8-7-22(20-24(23)37-4-2)26-25(27(33)21-9-11-30-12-10-21)28(34)29(35)32(26)14-6-13-31-15-18-36-19-16-31/h7-12,20,26,33H,3-6,13-19H2,1-2H3/b27-25+