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

Systemtic Name: 2-(1-benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]propanoic acid Openeye Name: 2-(benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]propanoic acid CAS Name: 2-(3-benzofuranyl)-3-[1-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl]propanoic acid IUPAC Name: 2-(1-benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanoic acid Traditional Name: 2-(benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]propionic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=COC4=CC=CC=C43)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=COC4=CC=CC=C43)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O4/c1-32-21-13-11-20(12-14-21)29-25(18-7-3-2-4-8-18)16-19(28-29)15-23(27(30)31)24-17-33-26-10-6-5-9-22(24)26/h2-14,16-17,23H,15H2,1H3,(H,30,31)