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

Systemtic Name: tert-butyl N-[[5-aminocarbonyl-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-5-carbamoyl-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-5-carbamoyl-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-5-carbamoyl-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-5-carbamoyl-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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