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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(3-chlorophenyl)-1-phenethyl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-chlorophenyl)-1-phenethyl-pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-chlorophenyl)-1-phenethylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-chlorophenyl)-1-phenethylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-chlorophenyl)-1-phenethyl-pyrrolidine-2,3-quinone Formula: C29H28ClNO4 MolecularWeight: 489.98992

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(=CC=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C29H28ClNO4/c1-2-3-17-35-24-14-8-12-22(19-24)27(32)25-26(21-11-7-13-23(30)18-21)31(29(34)28(25)33)16-15-20-9-5-4-6-10-20/h4-14,18-19,26,32H,2-3,15-17H2,1H3/b27-25+