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

Systemtic Name: (6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl) butyl carbonate Openeye Name: (6-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl carbonate CAS Name: carbonic acid (6-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl) butyl ester IUPAC Name: (6-butoxy-1-chloro-4-hydroxyisoquinolin-3-yl) butyl carbonate Traditional Name: carbonic acid (6-butoxy-1-chloro-4-hydroxy-3-isoquinolyl) butyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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