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

Systemtic Name: (4E)-4-[[3-methyl-2-(3-oxidanylpropoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[2-(3-hydroxypropoxy)-3-methyl-4-propoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[2-(3-hydroxypropoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[2-(3-hydroxypropoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[2-(3-hydroxypropoxy)-3-methyl-4-propoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C23H26N2O5 MolecularWeight: 410.46294

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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)OCCCO)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-3-13-29-20-11-10-17(21(16(20)2)30-14-7-12-26)15-19-22(27)24-25(23(19)28)18-8-5-4-6-9-18/h4-6,8-11,15,26H,3,7,12-14H2,1-2H3,(H,24,27)/b19-15+