(4E)-4-[[3-methyl-2-(4-oxidanylbutoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4E)-4-[[3-methyl-2-(4-oxidanylbutoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[2-(4-hydroxybutoxy)-3-methyl-4-propoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[2-(4-hydroxybutoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[2-(4-hydroxybutoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[2-(4-hydroxybutoxy)-3-methyl-4-propoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCCCO)C

Isomeric SMILES

CCCOC1=C(C(=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OCCCCO)C

InChI

InChI=1S/C24H28N2O5/c1-3-14-30-21-12-11-18(22(17(21)2)31-15-8-7-13-27)16-20-23(28)25-26(24(20)29)19-9-5-4-6-10-19/h4-6,9-12,16,27H,3,7-8,13-15H2,1-2H3,(H,25,28)/b20-16+