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

Systemtic Name: 2-(1-benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]propanoic acid Openeye Name: 2-(benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]propanoic acid CAS Name: 2-(3-benzofuranyl)-3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 2-(1-benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]propanoic acid Traditional Name: 2-(benzofuran-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]propionic acid Formula: C33H26N2O5 MolecularWeight: 530.56994

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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=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=COC4=CC=CC=C43)C(=O)O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C33H26N2O5/c1-38-25-17-13-24(14-18-25)35-31(22-11-15-27(16-12-22)40-26-7-3-2-4-8-26)20-23(34-35)19-29(33(36)37)30-21-39-32-10-6-5-9-28(30)32/h2-18,20-21,29H,19H2,1H3,(H,36,37)