4-[(4E)-4-[(3-methoxy-2-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(3-methoxy-2-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-benzyloxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(2-benzoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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