2-[6-[(1,5-diphenylpyrazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(1,5-diphenylpyrazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[(1,5-diphenylpyrazol-4-yl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[(1,5-diphenyl-4-pyrazolyl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[(1,5-diphenylpyrazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[(1,5-diphenylpyrazol-4-yl)methoxy]coumaran-3-yl]acetic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)OCC3=C(N(N=C3)C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=C(N(N=C3)C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C26H22N2O4/c29-25(30)13-19-16-32-24-14-22(11-12-23(19)24)31-17-20-15-27-28(21-9-5-2-6-10-21)26(20)18-7-3-1-4-8-18/h1-12,14-15,19H,13,16-17H2,(H,29,30)