(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)/O

InChI

InChI=1S/C28H28N2O4/c1-2-3-18-34-23-11-7-10-22(19-23)26(31)24-25(21-12-15-29-16-13-21)30(28(33)27(24)32)17-14-20-8-5-4-6-9-20/h4-13,15-16,19,25,31H,2-3,14,17-18H2,1H3/b26-24+