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

Systemtic Name: 2-[6-(3-pentanoyl-1-benzofuran-2-yl)-1-phenyl-naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[6-(3-pentanoylbenzofuran-2-yl)-1-phenyl-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[6-[3-(1-oxopentyl)-2-benzofuranyl]-1-phenyl-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[6-(3-pentanoyl-1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[1-phenyl-6-(3-valerylbenzofuran-2-yl)-2-naphthoxy]acetonitrile Formula: C31H25NO3 MolecularWeight: 459.5351

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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)C5=CC=CC=C5

Isomeric SMILES

CCCCC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO3/c1-2-3-12-26(33)30-25-11-7-8-13-27(25)35-31(30)23-14-16-24-22(20-23)15-17-28(34-19-18-32)29(24)21-9-5-4-6-10-21/h4-11,13-17,20H,2-3,12,19H2,1H3