7-[3,5-bis(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3,5-bis(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-hydroxy-3,5-bis(hydroxymethyl)-1-piperidyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-hydroxy-3,5-bis(hydroxymethyl)-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-hydroxy-3,5-bis(hydroxymethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylol-piperidino)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H25FN2O7 MolecularWeight: 436.430803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CC(C(C(C3)CO)O)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CC(C(C(C3)CO)O)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H25FN2O7/c1-31-20-16-13(19(28)14(21(29)30)7-24(16)12-2-3-12)4-15(22)17(20)23-5-10(8-25)18(27)11(6-23)9-26/h4,7,10-12,18,25-27H,2-3,5-6,8-9H2,1H3,(H,29,30)