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

Systemtic Name: 4-[(4E)-4-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-benzoxy-3-chloro-5-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C27H23ClN2O5 MolecularWeight: 490.93492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O5/c1-3-34-24-15-19(14-23(28)25(24)35-16-18-7-5-4-6-8-18)13-22-17(2)29-30(26(22)31)21-11-9-20(10-12-21)27(32)33/h4-15H,3,16H2,1-2H3,(H,32,33)/b22-13+