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

Systemtic Name: tert-butyl N-[[4-butoxy-6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(hydroxymethyl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-methylol-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C24H36N2O5 MolecularWeight: 432.55304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O5/c1-7-8-11-30-21-19-12-17(15-27)9-10-18(19)22(28)26(14-16(2)3)20(21)13-25-23(29)31-24(4,5)6/h9-10,12,16,27H,7-8,11,13-15H2,1-6H3,(H,25,29)