butyl (4-oxidanyl-1-oxidanylidene-6-phenylmethoxy-2H-isoquinolin-3-yl) carbonate

Systemtic Name: butyl (4-oxidanyl-1-oxidanylidene-6-phenylmethoxy-2H-isoquinolin-3-yl) carbonate Openeye Name: (6-benzyloxy-4-hydroxy-1-oxo-2H-isoquinolin-3-yl) butyl carbonate CAS Name: carbonic acid butyl (4-hydroxy-1-oxo-6-phenylmethoxy-2H-isoquinolin-3-yl) ester IUPAC Name: butyl (4-hydroxy-1-oxo-6-phenylmethoxy-2H-isoquinolin-3-yl) carbonate Traditional Name: carbonic acid (6-benzoxy-4-hydroxy-1-keto-2H-isoquinolin-3-yl) butyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1)O

Isomeric SMILES

CCCCOC(=O)OC1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1)O

InChI

InChI=1S/C21H21NO6/c1-2-3-11-26-21(25)28-20-18(23)17-12-15(9-10-16(17)19(24)22-20)27-13-14-7-5-4-6-8-14/h4-10,12,23H,2-3,11,13H2,1H3,(H,22,24)