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

Systemtic Name: tert-butyl N-[[6-(2-azanyl-2-oxidanylidene-ethoxy)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(2-amino-2-oxo-ethoxy)-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(2-amino-2-oxoethoxy)-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(2-amino-2-oxoethoxy)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(2-amino-2-keto-ethoxy)-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O6/c1-7-8-11-32-22-19-12-17(33-15-21(26)29)9-10-18(19)23(30)28(14-16(2)3)20(22)13-27-24(31)34-25(4,5)6/h9-10,12,16H,7-8,11,13-15H2,1-6H3,(H2,26,29)(H,27,31)