2-[4-[2-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]butyl]benzenecarbonitrile

Systemtic Name: 2-[4-[2-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]butyl]benzenecarbonitrile Openeye Name: 2-[4-[2-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]butyl]benzonitrile CAS Name: 2-[4-[2-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]butyl]benzonitrile IUPAC Name: 2-[4-[2-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]butyl]benzonitrile Traditional Name: 2-[4-[2-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]butyl]benzonitrile Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2C#N)O

Isomeric SMILES

CN(C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2C#N)O

InChI

InChI=1S/C22H28N2O2/c1-24(2)16-21(25)17-26-22-14-8-7-12-19(22)11-5-3-9-18-10-4-6-13-20(18)15-23/h4,6-8,10,12-14,21,25H,3,5,9,11,16-17H2,1-2H3