tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-1-keto-7-methyl-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O4/c1-9-10-13-30-21-18-12-11-17(2)14-19(18)22(28)27(16-24(3,4)5)20(21)15-26-23(29)31-25(6,7)8/h11-12,14H,9-10,13,15-16H2,1-8H3,(H,26,29)