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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(3-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=CN=CC=C4)O

Isomeric SMILES

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

InChI

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