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

Systemtic Name: 2-[6-[(4-pyrazol-1-ylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-pyrazol-1-ylphenyl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[[4-(1-pyrazolyl)phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-pyrazol-1-ylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-(4-pyrazol-1-ylbenzyl)oxycoumaran-3-yl]acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)CC(=O)O

InChI

InChI=1S/C20H18N2O4/c23-20(24)10-15-13-26-19-11-17(6-7-18(15)19)25-12-14-2-4-16(5-3-14)22-9-1-8-21-22/h1-9,11,15H,10,12-13H2,(H,23,24)