4-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]benzonitrile CAS Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]benzonitrile Traditional Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]benzonitrile Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C22H24N2O2/c1-22(2,3)24-15-20(25)16-26-21-7-5-4-6-19(21)13-12-17-8-10-18(14-23)11-9-17/h4-11,20,24-25H,15-16H2,1-3H3