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

Systemtic Name: tert-butyl N-[[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-[(2-fluoro-5-methoxy-phenyl)methyl]-6,7-dimethoxy-4-isoquinolyl]methyl]carbamate CAS Name: N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]methyl]carbamate Traditional Name: N-[[1-(2-fluoro-5-methoxy-benzyl)-6,7-dimethoxy-4-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C25H29FN2O5 MolecularWeight: 456.506563

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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)CC3=C(C=CC(=C3)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C25H29FN2O5/c1-25(2,3)33-24(29)28-14-16-13-27-21(10-15-9-17(30-4)7-8-20(15)26)19-12-23(32-6)22(31-5)11-18(16)19/h7-9,11-13H,10,14H2,1-6H3,(H,28,29)