tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-1-keto-5,6-dimethoxy-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H40N2O6 MolecularWeight: 476.6056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O6/c1-10-11-14-33-21-18(15-27-24(30)34-26(5,6)7)28(16-25(2,3)4)23(29)17-12-13-19(31-8)22(32-9)20(17)21/h12-13H,10-11,14-16H2,1-9H3,(H,27,30)