ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[3-(oxan-3-yloxy)prop-1-ynyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[3-(oxan-3-yloxy)prop-1-ynyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6,8-difluoro-4-oxo-7-(3-tetrahydropyran-3-yloxyprop-1-ynyl)quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-7-[3-(3-oxanyloxy)prop-1-ynyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6,8-difluoro-7-[3-(oxan-3-yloxy)prop-1-ynyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-tetrahydropyran-3-yloxyprop-1-ynyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H23F2NO5 MolecularWeight: 419.418526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C#CCOC3CCCOC3)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C#CCOC3CCCOC3)F)C(=O)OCC

InChI

InChI=1S/C22H23F2NO5/c1-3-25-12-17(22(27)29-4-2)21(26)16-11-18(23)15(19(24)20(16)25)8-6-10-30-14-7-5-9-28-13-14/h11-12,14H,3-5,7,9-10,13H2,1-2H3