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

Systemtic Name: 3-[(4E)-4-[(3-methoxy-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(4-isopropoxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(4-isopropoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-13(2)29-19-9-8-15(11-20(19)28-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(12-17)22(26)27/h5-13H,1-4H3,(H,26,27)/b18-10+