4-[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(3-ethoxy-4-isobutoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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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)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC(C)C

InChI

InChI=1S/C24H26N2O5/c1-5-30-22-13-17(6-11-21(22)31-14-15(2)3)12-20-16(4)25-26(23(20)27)19-9-7-18(8-10-19)24(28)29/h6-13,15H,5,14H2,1-4H3,(H,28,29)