tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-(3-oxidanylidenebutan-2-yloxy)isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-(3-oxidanylidenebutan-2-yloxy)isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(1-methyl-2-oxo-propoxy)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-(3-oxobutan-2-yloxy)-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-(3-oxobutan-2-yloxy)isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-1-keto-6-(2-keto-1-methyl-propoxy)-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H42N2O6 MolecularWeight: 502.64288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)C(=O)C)CC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)C(=O)C)CC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H42N2O6/c1-10-11-14-34-24-22-15-20(35-19(3)18(2)31)12-13-21(22)25(32)30(17-27(4,5)6)23(24)16-29-26(33)36-28(7,8)9/h12-13,15,19H,10-11,14,16-17H2,1-9H3,(H,29,33)