2-[6-(5-chloranyl-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[6-(5-chloranyl-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[6-(5-chloro-3-pentanoyl-benzofuran-2-yl)-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[6-[5-chloro-3-(1-oxopentyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[6-(5-chloro-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[6-(5-chloro-3-valeryl-benzofuran-2-yl)-2-naphthoxy]acetonitrile Formula: C25H20ClNO3 MolecularWeight: 417.8842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)C=C(C=C4)OCC#N

Isomeric SMILES

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)C=C(C=C4)OCC#N

InChI

InChI=1S/C25H20ClNO3/c1-2-3-4-22(28)24-21-15-19(26)8-10-23(21)30-25(24)18-6-5-17-14-20(29-12-11-27)9-7-16(17)13-18/h5-10,13-15H,2-4,12H2,1H3