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

Systemtic Name: tert-butyl N-[[6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(hydroxymethyl)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(hydroxymethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(2-isobutyl-1-keto-6-methylol-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CO)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CO)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N2O4/c1-17(2)15-28-22(14-27-25(31)32-26(3,4)5)23(19-9-7-6-8-10-19)21-13-18(16-29)11-12-20(21)24(28)30/h6-13,17,29H,14-16H2,1-5H3,(H,27,31)