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

Systemtic Name: (4E)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CC4=CN=CC=C4)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CC4=CN=CC=C4)OCC

InChI

InChI=1S/C29H31N3O5/c1-3-5-6-16-37-23-10-9-22(17-24(23)36-4-2)26-25(27(33)21-11-14-30-15-12-21)28(34)29(35)32(26)19-20-8-7-13-31-18-20/h7-15,17-18,26,33H,3-6,16,19H2,1-2H3/b27-25+