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

Systemtic Name: [1-(tert-butylamino)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-propan-2-yl] butanoate Openeye Name: [1-[(tert-butylamino)methyl]-2-[(2-methyl-1-oxo-4-isoquinolyl)oxy]ethyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [1-[(tert-butylamino)methyl]-2-[(1-keto-2-methyl-4-isoquinolyl)oxy]ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-6-9-19(24)27-15(12-22-21(2,3)4)14-26-18-13-23(5)20(25)17-11-8-7-10-16(17)18/h7-8,10-11,13,15,22H,6,9,12,14H2,1-5H3