[1-(tert-butylamino)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-propan-2-yl] propanoate

Systemtic Name: [1-(tert-butylamino)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-propan-2-yl] propanoate Openeye Name: [1-[(tert-butylamino)methyl]-2-[(2-methyl-1-oxo-4-isoquinolyl)oxy]ethyl] propanoate CAS Name: propanoic acid [1-(tert-butylamino)-3-[(2-methyl-1-oxo-4-isoquinolinyl)oxy]propan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-(2-methyl-1-oxoisoquinolin-4-yl)oxypropan-2-yl] propanoate Traditional Name: propionic acid [1-[(tert-butylamino)methyl]-2-[(1-keto-2-methyl-4-isoquinolyl)oxy]ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CNC(C)(C)C)COC1=CN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCC(=O)OC(CNC(C)(C)C)COC1=CN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C20H28N2O4/c1-6-18(23)26-14(11-21-20(2,3)4)13-25-17-12-22(5)19(24)16-10-8-7-9-15(16)17/h7-10,12,14,21H,6,11,13H2,1-5H3