tert-butyl N-[[7-(2-azanyl-2-oxidanylidene-ethoxy)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[7-(2-azanyl-2-oxidanylidene-ethoxy)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[7-(2-amino-2-oxo-ethoxy)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[7-(2-amino-2-oxoethoxy)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-(2-amino-2-oxoethoxy)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[7-(2-amino-2-keto-ethoxy)-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-17(2)15-30-22(14-29-26(33)35-27(3,4)5)24(18-9-7-6-8-10-18)20-12-11-19(34-16-23(28)31)13-21(20)25(30)32/h6-13,17H,14-16H2,1-5H3,(H2,28,31)(H,29,33)