2-[1-methyl-6-[3-(1-oxidanylpentyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[1-methyl-6-[3-(1-oxidanylpentyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[6-[3-(1-hydroxypentyl)benzofuran-2-yl]-1-methyl-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[6-[3-(1-hydroxypentyl)-2-benzofuranyl]-1-methyl-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[6-[3-(1-hydroxypentyl)-1-benzofuran-2-yl]-1-methylnaphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[6-[3-(1-hydroxypentyl)benzofuran-2-yl]-1-methyl-2-naphthoxy]acetonitrile Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)C)O

Isomeric SMILES

CCCCC(C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)C)O

InChI

InChI=1S/C26H25NO3/c1-3-4-8-22(28)25-21-7-5-6-9-24(21)30-26(25)19-10-12-20-17(2)23(29-15-14-27)13-11-18(20)16-19/h5-7,9-13,16,22,28H,3-4,8,15H2,1-2H3