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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(propanoylamino)isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-1-oxo-6-(propanoylamino)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(1-oxopropylamino)-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(propanoylamino)isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-propionamido-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O5/c1-8-10-13-33-23-20-14-18(28-22(30)9-2)11-12-19(20)24(31)29(16-17(3)4)21(23)15-27-25(32)34-26(5,6)7/h11-12,14,17H,8-10,13,15-16H2,1-7H3,(H,27,32)(H,28,30)