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

Systemtic Name: N-[4-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethynyl]phenyl]methanamide Openeye Name: N-[4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]phenyl]formamide CAS Name: N-[4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]phenyl]formamide IUPAC Name: N-[4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]phenyl]formamide Traditional Name: N-[4-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethynyl]phenyl]formamide 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)NC=O)O

Isomeric SMILES

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

InChI

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