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

Systemtic Name: 2-[1-methyl-6-(3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-methyl-6-(3-pentanoylbenzofuran-2-yl)-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-methyl-6-[3-(1-oxopentyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-methyl-6-(3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[1-methyl-6-(3-valerylbenzofuran-2-yl)-2-naphthoxy]acetonitrile Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO3/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/h5-7,9-13,16H,3-4,8,15H2,1-2H3