8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2,6-dimethyl-4-pyridyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2,6-dimethyl-4-pyridinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2,6-dimethylpyridin-4-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(2,6-dimethyl-4-pyridyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H18F2N2O4 MolecularWeight: 400.375426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC(F)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC(F)F

InChI

InChI=1S/C21H18F2N2O4/c1-10-7-12(8-11(2)24-10)14-5-6-15-17(19(14)29-21(22)23)25(13-3-4-13)9-16(18(15)26)20(27)28/h5-9,13,21H,3-4H2,1-2H3,(H,27,28)