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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-pyrrolidine-2,3-quinone Formula: C36H35NO5 MolecularWeight: 561.6668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)/O

InChI

InChI=1S/C36H35NO5/c1-2-3-23-41-31-16-10-15-29(24-31)34(38)32-33(37(36(40)35(32)39)22-21-26-11-6-4-7-12-26)28-17-19-30(20-18-28)42-25-27-13-8-5-9-14-27/h4-20,24,33,38H,2-3,21-23,25H2,1H3/b34-32+