3-[3,4-bis(fluoranyl)phenyl]-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3,4-difluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3,4-difluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3,4-difluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3,4-difluorophenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H17F2NO5 MolecularWeight: 377.338786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H17F2NO5/c1-22-17(9-4-5-12(20)13(21)6-9)16(19(24)25)10-7-14(26-2)15(27-3)8-11(10)18(22)23/h4-8,16-17H,1-3H3,(H,24,25)