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

Systemtic Name: tert-butyl N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-propoxy-isoquinolin-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(6-chloro-2-methyl-1-oxo-4-propoxy-3-isoquinolyl)methyl]carbamate CAS Name: N-[(6-chloro-2-methyl-1-oxo-4-propoxy-3-isoquinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(6-chloro-2-methyl-1-oxo-4-propoxyisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(6-chloro-1-keto-2-methyl-4-propoxy-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25ClN2O4/c1-6-9-25-16-14-10-12(20)7-8-13(14)17(23)22(5)15(16)11-21-18(24)26-19(2,3)4/h7-8,10H,6,9,11H2,1-5H3,(H,21,24)