tert-butyl N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinolin-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinolin-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(6-chloro-2-methyl-1-oxo-4-phenethyloxy-3-isoquinolyl)methyl]carbamate CAS Name: N-[(6-chloro-2-methyl-1-oxo-4-phenethyloxy-3-isoquinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(6-chloro-2-methyl-1-oxo-4-phenethyloxyisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(6-chloro-1-keto-2-methyl-4-phenethyloxy-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O4/c1-24(2,3)31-23(29)26-15-20-21(30-13-12-16-8-6-5-7-9-16)19-14-17(25)10-11-18(19)22(28)27(20)4/h5-11,14H,12-13,15H2,1-4H3,(H,26,29)