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

Systemtic Name: tert-butyl N-[[7-(2-methoxyethoxy)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-isobutyl-7-(2-methoxyethoxy)-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[7-(2-methoxyethoxy)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-(2-methoxyethoxy)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[2-isobutyl-1-keto-7-(2-methoxyethoxy)-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c1-19(2)18-30-24(17-29-27(32)35-28(3,4)5)25(20-10-8-7-9-11-20)22-13-12-21(34-15-14-33-6)16-23(22)26(30)31/h7-13,16,19H,14-15,17-18H2,1-6H3,(H,29,32)