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

Systemtic Name: butyl 1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: butyl 7-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-hydroxy-7-phenylmethoxy-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 7-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=N1)Cl)O

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=N1)Cl)O

InChI

InChI=1S/C21H20ClNO4/c1-2-3-11-26-21(25)18-19(24)16-10-9-15(12-17(16)20(22)23-18)27-13-14-7-5-4-6-8-14/h4-10,12,24H,2-3,11,13H2,1H3