ethyl 1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate Openeye Name: ethyl 1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 1-[(2-fluoro-5-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-fluoro-5-methoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylate Traditional Name: 1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC)F

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C22H20FNO6/c1-5-30-22(26)16-11-24-20(14-10-19(29-4)18(28-3)9-13(14)16)21(25)15-8-12(27-2)6-7-17(15)23/h6-11H,5H2,1-4H3