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

Systemtic Name: (6-butoxy-4-oxidanyl-isoquinolin-3-yl) hydrogen carbonate Openeye Name: (6-butoxy-4-hydroxy-3-isoquinolyl) hydrogen carbonate CAS Name: carbonic acid (6-butoxy-4-hydroxy-3-isoquinolinyl) ester IUPAC Name: (6-butoxy-4-hydroxyisoquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid (6-butoxy-4-hydroxy-3-isoquinolyl) ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C(=NC=C2C=C1)OC(=O)O)O

Isomeric SMILES

CCCCOC1=CC2=C(C(=NC=C2C=C1)OC(=O)O)O

InChI

InChI=1S/C14H15NO5/c1-2-3-6-19-10-5-4-9-8-15-13(20-14(17)18)12(16)11(9)7-10/h4-5,7-8,16H,2-3,6H2,1H3,(H,17,18)