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

Systemtic Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(furan-2-ylmethyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(2-furylmethyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(2-furanylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(2-furfuryl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C27H28N2O6 MolecularWeight: 476.52102

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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)N2CC4=CC=CO4)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CC4=CC=CO4)OCC

InChI

InChI=1S/C27H28N2O6/c1-3-5-14-35-21-9-8-19(16-22(21)33-4-2)24-23(25(30)18-10-12-28-13-11-18)26(31)27(32)29(24)17-20-7-6-15-34-20/h6-13,15-16,24,30H,3-5,14,17H2,1-2H3/b25-23+