3-[3-(1-benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(2-benzofuranyl)-5-ethoxycarbonyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-(1-benzofuran-2-yl)-5-ethoxycarbonylpyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(benzofuran-2-yl)-5-carbethoxy-pyrazol-1-yl]benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H16N2O5/c1-2-27-21(26)17-12-16(19-11-13-6-3-4-9-18(13)28-19)22-23(17)15-8-5-7-14(10-15)20(24)25/h3-12H,2H2,1H3,(H,24,25)