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

Systemtic Name: 3-[(4E)-4-[[3-methoxy-4-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[4-(2-isopropoxy-2-oxo-ethoxy)-3-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[3-methoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[3-methoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[4-(2-isopropoxy-2-keto-ethoxy)-3-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H24N2O7/c1-14(2)33-22(27)13-32-20-9-8-16(11-21(20)31-4)10-19-15(3)25-26(23(19)28)18-7-5-6-17(12-18)24(29)30/h5-12,14H,13H2,1-4H3,(H,29,30)/b19-10+