tert-butyl N-[[6-acetamido-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-acetamido-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-acetamido-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-acetamido-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-acetamido-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-acetamido-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C25H37N3O5 MolecularWeight: 459.57838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O5/c1-8-9-12-32-22-20-13-18(27-17(4)29)10-11-19(20)23(30)28(15-16(2)3)21(22)14-26-24(31)33-25(5,6)7/h10-11,13,16H,8-9,12,14-15H2,1-7H3,(H,26,31)(H,27,29)