3-[(4Z)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-4-(4-benzoxy-3-methoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoate Formula: C31H23N2O5- MolecularWeight: 503.52472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H24N2O5/c1-37-28-18-22(15-16-27(28)38-20-21-9-4-2-5-10-21)17-26-29(23-11-6-3-7-12-23)32-33(30(26)34)25-14-8-13-24(19-25)31(35)36/h2-19H,20H2,1H3,(H,35,36)/p-1/b26-17-