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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)/O

InChI

InChI=1S/C26H28N4O4/c1-2-3-15-34-21-9-4-7-19(16-21)24(31)22-23(20-8-5-10-27-17-20)30(26(33)25(22)32)13-6-12-29-14-11-28-18-29/h4-5,7-11,14,16-18,23,31H,2-3,6,12-13,15H2,1H3/b24-22+