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

Systemtic Name: 3-[(4E)-4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(4-benzoxy-3-chloro-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O5/c1-16-21(25(30)29(28-16)20-10-6-9-19(14-20)26(31)32)11-18-12-22(27)24(23(13-18)33-2)34-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,31,32)/b21-11+