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

Systemtic Name: (4E)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-1-(2-morpholin-4-ylethyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(2-morpholinoethyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[2-(4-morpholinyl)ethyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(2-morpholinoethyl)pyrrolidine-2,3-quinone Formula: C31H33N3O6 MolecularWeight: 543.61022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCN4CCOCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CCN4CCOCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O6/c1-2-39-26-20-24(8-9-25(26)40-21-22-6-4-3-5-7-22)28-27(29(35)23-10-12-32-13-11-23)30(36)31(37)34(28)15-14-33-16-18-38-19-17-33/h3-13,20,28,35H,2,14-19,21H2,1H3/b29-27+