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

Systemtic Name: (4E)-5-(4-butoxyphenyl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxyphenyl)-4-[hydroxy(m-phenetyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C29H30N2O5 MolecularWeight: 486.5589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCC)O)C(=O)C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C29H30N2O5/c1-3-5-16-36-23-13-11-21(12-14-23)26-25(27(32)22-9-6-10-24(17-22)35-4-2)28(33)29(34)31(26)19-20-8-7-15-30-18-20/h6-15,17-18,26,32H,3-5,16,19H2,1-2H3/b27-25+