tert-butyl N-[[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]carbamate CAS Name: N-[[1-[(2-fluoro-5-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(2-fluoro-5-methoxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]methyl]carbamate Traditional Name: N-[[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C25H27FN2O6 MolecularWeight: 470.490083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C25H27FN2O6/c1-25(2,3)34-24(30)28-13-14-12-27-22(17-11-21(33-6)20(32-5)10-16(14)17)23(29)18-9-15(31-4)7-8-19(18)26/h7-12H,13H2,1-6H3,(H,28,30)