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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C26H25N3O4 MolecularWeight: 443.4944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)/O

InChI

InChI=1S/C26H25N3O4/c1-2-3-14-33-21-8-4-7-20(15-21)24(30)22-23(19-9-12-27-13-10-19)29(26(32)25(22)31)17-18-6-5-11-28-16-18/h4-13,15-16,23,30H,2-3,14,17H2,1H3/b24-22+