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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-6-hydroxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-6-hydroxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-hydroxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-hydroxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-7-8-11-29-20-18-12-16(26)9-10-17(18)21(27)25(14-15(2)3)19(20)13-24-22(28)30-23(4,5)6/h9-10,12,15,26H,7-8,11,13-14H2,1-6H3,(H,24,28)