7-[2-(chloromethyl)-6-methyl-pyridin-4-yl]-1-cyclopropyl-2-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(chloromethyl)-6-methyl-pyridin-4-yl]-1-cyclopropyl-2-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(chloromethyl)-6-methyl-4-pyridyl]-1-cyclopropyl-2-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(chloromethyl)-6-methyl-4-pyridinyl]-1-cyclopropyl-2-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(chloromethyl)-6-methylpyridin-4-yl]-1-cyclopropyl-2-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(chloromethyl)-6-methyl-4-pyridyl]-1-cyclopropyl-2-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)C4=CC(=NC(=C4)CCl)C)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)C4=CC(=NC(=C4)CCl)C)F)C(=O)O

InChI

InChI=1S/C22H20ClFN2O3/c1-3-18-20(22(28)29)21(27)16-8-17(24)15(9-19(16)26(18)14-4-5-14)12-6-11(2)25-13(7-12)10-23/h6-9,14H,3-5,10H2,1-2H3,(H,28,29)