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

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-benzyloxy-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-benzoxy-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C32H36N2O4 MolecularWeight: 512.63924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C32H36N2O4/c1-22(2)20-34-28(19-33-31(36)38-32(3,4)5)29(24-14-10-7-11-15-24)27-18-25(16-17-26(27)30(34)35)37-21-23-12-8-6-9-13-23/h6-18,22H,19-21H2,1-5H3,(H,33,36)