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

Systemtic Name: 4-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethynyl]benzamide Openeye Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]benzamide CAS Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]benzamide IUPAC Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]benzamide Traditional Name: 4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]benzamide Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)24-14-19(25)15-27-20-7-5-4-6-17(20)11-8-16-9-12-18(13-10-16)21(23)26/h4-7,9-10,12-13,19,24-25H,14-15H2,1-3H3,(H2,23,26)