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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-1-keto-6-methoxy-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C25H38N2O5 MolecularWeight: 446.57962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O5/c1-9-10-13-31-21-19-14-17(30-8)11-12-18(19)22(28)27(16-24(2,3)4)20(21)15-26-23(29)32-25(5,6)7/h11-12,14H,9-10,13,15-16H2,1-8H3,(H,26,29)