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

Systemtic Name: 3-[4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-5-keto-3-phenyl-2-pyrazolin-1-yl]propionic acid Formula: C30H22N4O4 MolecularWeight: 502.52008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)CCC(=O)O

InChI

InChI=1S/C30H22N4O4/c35-27(36)15-16-33-30(37)24(28(31-33)20-9-3-1-4-10-20)17-22-19-34(23-12-5-2-6-13-23)32-29(22)26-18-21-11-7-8-14-25(21)38-26/h1-14,17-19H,15-16H2,(H,35,36)