3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(benzofuran-2-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(benzofuran-2-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H17N3O4/c29-24(26-18-9-6-8-17(13-18)25(30)31)20-15-28(19-10-2-1-3-11-19)27-23(20)22-14-16-7-4-5-12-21(16)32-22/h1-15H,(H,26,29)(H,30,31)