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

Systemtic Name: 4-[(4E)-4-[[3-ethoxy-4-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[3-ethoxy-4-(2-isopropoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[3-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[3-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[3-ethoxy-4-(2-isopropoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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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(=O)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)OC(C)C

InChI

InChI=1S/C25H26N2O7/c1-5-32-22-13-17(6-11-21(22)33-14-23(28)34-15(2)3)12-20-16(4)26-27(24(20)29)19-9-7-18(8-10-19)25(30)31/h6-13,15H,5,14H2,1-4H3,(H,30,31)/b20-12+