3-[(4E)-3-methyl-5-oxidanylidene-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-5-oxidanylidene-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[5-(4-isopropoxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-5-oxo-4-[[5-[4-[oxo(propan-2-yloxy)methyl]phenyl]-2-furanyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-5-oxo-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[[5-(4-isopropoxycarbonylphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H22N2O6/c1-15(2)33-26(32)18-9-7-17(8-10-18)23-12-11-21(34-23)14-22-16(3)27-28(24(22)29)20-6-4-5-19(13-20)25(30)31/h4-15H,1-3H3,(H,30,31)/b22-14+