4-[(4E)-4-[(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-bromo-5-ethoxy-4-isopropoxy-phenyl)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(2-bromo-5-ethoxy-4-isopropoxy-benzylidene)-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H27BrN2O5 MolecularWeight: 515.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC(C)C)OCC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OC(C)C)OCC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H27BrN2O5/c1-5-7-21-19(24(29)28(27-21)18-10-8-16(9-11-18)25(30)31)12-17-13-22(32-6-2)23(14-20(17)26)33-15(3)4/h8-15H,5-7H2,1-4H3,(H,30,31)/b19-12+