3-[[2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O5/c1-17-22(25(29)28(27-17)21-9-4-3-5-10-21)14-18-11-12-23(24(15-18)32-2)33-16-19-7-6-8-20(13-19)26(30)31/h3-15H,16H2,1-2H3,(H,30,31)/b22-14+