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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CCC4=CC=CC=C4

InChI

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