2-[4-butoxy-2-(2,2-dimethylpropyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxidanylidene-isoquinolin-6-yl]oxyethanoate

Systemtic Name: 2-[4-butoxy-2-(2,2-dimethylpropyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxidanylidene-isoquinolin-6-yl]oxyethanoate Openeye Name: 2-[[4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]oxy]acetate CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-oxo-6-isoquinolinyl]oxy]acetate IUPAC Name: 2-[4-butoxy-2-(2,2-dimethylpropyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxoisoquinolin-6-yl]oxyacetate Traditional Name: 2-[[4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-1-keto-2-neopentyl-6-isoquinolyl]oxy]acetate Formula: C26H37N2O7- MolecularWeight: 489.58118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)[O-])CC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)[O-])CC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N2O7/c1-8-9-12-33-22-19-13-17(34-15-21(29)30)10-11-18(19)23(31)28(16-25(2,3)4)20(22)14-27-24(32)35-26(5,6)7/h10-11,13H,8-9,12,14-16H2,1-7H3,(H,27,32)(H,29,30)/p-1