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

Systemtic Name: tert-butyl N-[[4-butoxy-6-(2-methylpropanoylamino)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-6-(2-methylpropanoylamino)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-[(2-methyl-1-oxopropyl)amino]-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(2-methylpropanoylamino)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-6-(isobutyrylamino)-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H41N3O5 MolecularWeight: 487.63154

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H41N3O5/c1-9-10-13-34-23-21-14-19(29-24(31)18(4)5)11-12-20(21)25(32)30(16-17(2)3)22(23)15-28-26(33)35-27(6,7)8/h11-12,14,17-18H,9-10,13,15-16H2,1-8H3,(H,28,33)(H,29,31)