butyl 1-chloranyl-7-methoxy-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: butyl 1-chloranyl-7-methoxy-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: butyl 1-chloro-4-hydroxy-7-methoxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-hydroxy-7-methoxy-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 1-chloro-4-hydroxy-7-methoxyisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-hydroxy-7-methoxy-isoquinoline-3-carboxylic acid butyl ester Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(C=C(C=C2)OC)C(=N1)Cl)O

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(C=C(C=C2)OC)C(=N1)Cl)O

InChI

InChI=1S/C15H16ClNO4/c1-3-4-7-21-15(19)12-13(18)10-6-5-9(20-2)8-11(10)14(16)17-12/h5-6,8,18H,3-4,7H2,1-2H3