4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-ethyl-1H-isoquinolin-1-ol

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-ethyl-1H-isoquinolin-1-ol Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-1H-isoquinolin-1-ol CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-1H-isoquinolin-1-ol Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C2C1O)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCN1C=C(C2=CC=CC=C2C1O)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H28N2O3/c1-5-20-11-16(14-8-6-7-9-15(14)17(20)22)23-12-13(21)10-19-18(2,3)4/h6-9,11,13,17,19,21-22H,5,10,12H2,1-4H3