3-[3-[6-(2-oxidanyl-4-pyridin-3-yl-butoxy)naphthalen-2-yl]propoxy]propanenitrile

Systemtic Name: 3-[3-[6-(2-oxidanyl-4-pyridin-3-yl-butoxy)naphthalen-2-yl]propoxy]propanenitrile Openeye Name: 3-[3-[6-[2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propoxy]propanenitrile CAS Name: 3-[3-[6-[2-hydroxy-4-(3-pyridinyl)butoxy]-2-naphthalenyl]propoxy]propanenitrile IUPAC Name: 3-[3-[6-(2-hydroxy-4-pyridin-3-ylbutoxy)naphthalen-2-yl]propoxy]propanenitrile Traditional Name: 3-[3-[6-[2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propoxy]propionitrile Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC3=C(C=C2)C=C(C=C3)CCCOCCC#N)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC3=C(C=C2)C=C(C=C3)CCCOCCC#N)O

InChI

InChI=1S/C25H28N2O3/c26-12-3-15-29-14-2-5-20-6-8-23-17-25(11-9-22(23)16-20)30-19-24(28)10-7-21-4-1-13-27-18-21/h1,4,6,8-9,11,13,16-18,24,28H,2-3,5,7,10,14-15,19H2