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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-[2-(4-morpholinyl)ethyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CN=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CN=CC=C4)/O

InChI

InChI=1S/C26H31N3O5/c1-2-3-14-34-21-8-4-6-19(17-21)24(30)22-23(20-7-5-9-27-18-20)29(26(32)25(22)31)11-10-28-12-15-33-16-13-28/h4-9,17-18,23,30H,2-3,10-16H2,1H3/b24-22+