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

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 5-[(4Z)-4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 5-[(4Z)-4-(4-benzoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-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)OCC3=CC=CC=C3)OC)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O5/c1-16-20(25(30)29(28-16)19-9-10-22(27)21(14-19)26(31)32)12-18-8-11-23(24(13-18)33-2)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b20-12-