butyl (1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl) carbonate

Systemtic Name: butyl (1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl) carbonate Openeye Name: (7-benzyloxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl carbonate CAS Name: carbonic acid butyl (1-chloro-4-hydroxy-7-phenylmethoxy-3-isoquinolinyl) ester IUPAC Name: butyl (1-chloro-4-hydroxy-7-phenylmethoxyisoquinolin-3-yl) carbonate Traditional Name: carbonic acid (7-benzoxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-2-3-11-26-21(25)28-20-18(24)16-10-9-15(12-17(16)19(22)23-20)27-13-14-7-5-4-6-8-14/h4-10,12,24H,2-3,11,13H2,1H3