2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]phenyl]butanoic acid

Systemtic Name: 2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]phenyl]butanoic acid Openeye Name: 2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]phenyl]butanoic acid CAS Name: 2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienyl]phenyl]butanoic acid IUPAC Name: 2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]phenyl]butanoic acid Traditional Name: 2-[4-[(5E)-5-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-6-keto-cyclohexa-1,3-dien-1-yl]phenyl]butyric acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C2=CC=CC(=NNC3=C(NN(C3=O)C4=CC(=C(C=C4)C)C)C)C2=O)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)C2=CC=C/C(=N\NC3=C(NN(C3=O)C4=CC(=C(C=C4)C)C)C)/C2=O)C(=O)O

InChI

InChI=1S/C28H28N4O4/c1-5-22(28(35)36)19-10-12-20(13-11-19)23-7-6-8-24(26(23)33)29-30-25-18(4)31-32(27(25)34)21-14-9-16(2)17(3)15-21/h6-15,22,30-31H,5H2,1-4H3,(H,35,36)/b29-24+