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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-1-keto-6-(2-methoxyethoxy)-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H42N2O6 MolecularWeight: 490.63218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O6/c1-9-10-13-34-23-21-16-19(33-15-14-32-8)11-12-20(21)24(30)29(18-26(2,3)4)22(23)17-28-25(31)35-27(5,6)7/h11-12,16H,9-10,13-15,17-18H2,1-8H3,(H,28,31)