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

Systemtic Name: tert-butyl N-[[6-chloranyl-2-methyl-4-(naphthalen-1-ylmethoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-chloro-2-methyl-4-(1-naphthylmethoxy)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-chloro-2-methyl-4-(1-naphthalenylmethoxy)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-chloro-2-methyl-4-(naphthalen-1-ylmethoxy)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-chloro-1-keto-2-methyl-4-(1-naphthylmethoxy)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H27ClN2O4 MolecularWeight: 478.96728

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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)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27ClN2O4/c1-27(2,3)34-26(32)29-15-23-24(22-14-19(28)12-13-21(22)25(31)30(23)4)33-16-18-10-7-9-17-8-5-6-11-20(17)18/h5-14H,15-16H2,1-4H3,(H,29,32)