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

Systemtic Name: tert-butyl N-[[4-(4-methylphenyl)-2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-hydroxy-2-isobutyl-1-oxo-4-(p-tolyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-hydroxy-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-hydroxy-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-hydroxy-2-isobutyl-1-keto-4-(p-tolyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)O)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)O)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N2O4/c1-16(2)15-28-22(14-27-25(31)32-26(4,5)6)23(18-9-7-17(3)8-10-18)21-13-19(29)11-12-20(21)24(28)30/h7-13,16,29H,14-15H2,1-6H3,(H,27,31)