2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[(3-phenyl-1H-pyrazol-5-yl)methoxy]coumaran-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(=NN3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=CC(=NN3)C4=CC=CC=C4)CC(=O)O

InChI

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