2-[[2-(2-butyl-4-methanoyl-pyrazol-3-yl)-5-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-butyl-4-methanoyl-pyrazol-3-yl)-5-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-(2-butyl-4-formyl-pyrazol-3-yl)-5-methoxy-phenoxy]methyl]benzoic acid CAS Name: 2-[[2-(2-butyl-4-formyl-3-pyrazolyl)-5-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-(2-butyl-4-formylpyrazol-3-yl)-5-methoxyphenoxy]methyl]benzoic acid Traditional Name: 2-[[2-(2-butyl-4-formyl-pyrazol-3-yl)-5-methoxy-phenoxy]methyl]benzoic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=N1)C=O)C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCN1C(=C(C=N1)C=O)C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H24N2O5/c1-3-4-11-25-22(17(14-26)13-24-25)20-10-9-18(29-2)12-21(20)30-15-16-7-5-6-8-19(16)23(27)28/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,27,28)