butyl 1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxylate

Systemtic Name: butyl 1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxylate Openeye Name: butyl 1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-hydroxy-6-propan-2-yloxy-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 1-chloro-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carboxylic acid butyl ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4/c1-4-5-8-22-17(21)14-15(20)13-9-11(23-10(2)3)6-7-12(13)16(18)19-14/h6-7,9-10,20H,4-5,8H2,1-3H3