2-[1-bromanyl-6-(3-pentyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[1-bromanyl-6-(3-pentyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-bromo-6-(3-pentylbenzofuran-2-yl)-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-bromo-6-(3-pentyl-2-benzofuranyl)-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-bromo-6-(3-pentyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[6-(3-amylbenzofuran-2-yl)-1-bromo-2-naphthoxy]acetonitrile Formula: C25H22BrNO2 MolecularWeight: 448.35168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

Isomeric SMILES

CCCCCC1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

InChI

InChI=1S/C25H22BrNO2/c1-2-3-4-8-21-20-7-5-6-9-22(20)29-25(21)18-10-12-19-17(16-18)11-13-23(24(19)26)28-15-14-27/h5-7,9-13,16H,2-4,8,15H2,1H3