(6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl) hydrogen carbonate

Systemtic Name: (6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl) hydrogen carbonate Openeye Name: (6-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) hydrogen carbonate CAS Name: carbonic acid (6-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl) ester IUPAC Name: (6-butoxy-1-chloro-4-hydroxyisoquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid (6-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) ester Formula: C14H14ClNO5 MolecularWeight: 311.71766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)OC(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)OC(=O)O)Cl

InChI

InChI=1S/C14H14ClNO5/c1-2-3-6-20-8-4-5-9-10(7-8)11(17)13(16-12(9)15)21-14(18)19/h4-5,7,17H,2-3,6H2,1H3,(H,18,19)