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

Systemtic Name: (7-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl) butyl carbonate Openeye Name: (7-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl carbonate CAS Name: carbonic acid (7-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl) butyl ester IUPAC Name: (7-butoxy-1-chloro-4-hydroxyisoquinolin-3-yl) butyl carbonate Traditional Name: carbonic acid (7-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)OC(=O)OCCCC)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)OC(=O)OCCCC)O

InChI

InChI=1S/C18H22ClNO5/c1-3-5-9-23-12-7-8-13-14(11-12)16(19)20-17(15(13)21)25-18(22)24-10-6-4-2/h7-8,11,21H,3-6,9-10H2,1-2H3