ethyl 6,7,8-tris(fluoranyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-4-oxo-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxoquinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidino-phenyl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H18F4N2O3 MolecularWeight: 434.383533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC(=C(C=C3)N4CCCC4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC(=C(C=C3)N4CCCC4)F

InChI

InChI=1S/C22H18F4N2O3/c1-2-31-22(30)14-11-28(20-13(21(14)29)10-16(24)18(25)19(20)26)12-5-6-17(15(23)9-12)27-7-3-4-8-27/h5-6,9-11H,2-4,7-8H2,1H3