4-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CC(COC2=CC=C(C=C2)C#N)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CC(COC2=CC=C(C=C2)C#N)O)C

InChI

InChI=1S/C21H26N2O3/c1-16-10-17(2)12-21(11-16)25-9-8-23(3)14-19(24)15-26-20-6-4-18(13-22)5-7-20/h4-7,10-12,19,24H,8-9,14-15H2,1-3H3