7-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-7-(homoveratrylamino)-4-keto-quinoline-3-carboxylate Formula: C22H22FN2O5- MolecularWeight: 413.418883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NCCC3=CC(=C(C=C3)OC)OC)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NCCC3=CC(=C(C=C3)OC)OC)F)C(=O)[O-]

InChI

InChI=1S/C22H23FN2O5/c1-4-25-12-15(22(27)28)21(26)14-10-16(23)17(11-18(14)25)24-8-7-13-5-6-19(29-2)20(9-13)30-3/h5-6,9-12,24H,4,7-8H2,1-3H3,(H,27,28)/p-1