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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-2-isobutyl-1-oxo-6-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N2O4/c1-7-8-16-34-26-24-17-22(21-12-10-9-11-13-21)14-15-23(24)27(32)31(19-20(2)3)25(26)18-30-28(33)35-29(4,5)6/h9-15,17,20H,7-8,16,18-19H2,1-6H3,(H,30,33)