2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-1-benzofuran-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-1-benzofuran-3-yl]ethanenitrile Openeye Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-benzofuran-3-yl]acetonitrile CAS Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-3-benzofuranyl]acetonitrile IUPAC Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-1-benzofuran-3-yl]acetonitrile Traditional Name: 2-[2-[3,5-bis(trifluoromethyl)benzyl]-5-methoxy-benzofuran-3-yl]acetonitrile Formula: C20H13F6NO2 MolecularWeight: 413.313139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2CC#N)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2CC#N)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6NO2/c1-28-14-2-3-17-16(10-14)15(4-5-27)18(29-17)8-11-6-12(19(21,22)23)9-13(7-11)20(24,25)26/h2-3,6-7,9-10H,4,8H2,1H3