1-cyclopropyl-7-(3,3-dimethyl-4-oxidanyl-piperidin-1-yl)-8-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(3,3-dimethyl-4-oxidanyl-piperidin-1-yl)-8-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3,3-dimethyl-1-piperidyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3,3-dimethyl-1-piperidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3,3-dimethyl-piperidino)-4-keto-quinoline-3-carboxylic acid Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1N3CCC(C(C3)(C)C)O)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1N3CCC(C(C3)(C)C)O)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H27FN2O4/c1-4-13-18-14(20(27)15(21(28)29)10-25(18)12-5-6-12)9-16(23)19(13)24-8-7-17(26)22(2,3)11-24/h9-10,12,17,26H,4-8,11H2,1-3H3,(H,28,29)