3-[4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[5-keto-4-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-3-phenyl-2-pyrazolin-1-yl]propionic acid Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4/c1-18-12-13-23(35-18)26-20(17-31(29-26)21-10-6-3-7-11-21)16-22-25(19-8-4-2-5-9-19)28-30(27(22)34)15-14-24(32)33/h2-13,16-17H,14-15H2,1H3,(H,32,33)