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

Systemtic Name: 7-[3-[1,3-bis(oxidanyl)propan-2-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-[2-hydroxy-1-(hydroxymethyl)ethyl]pyrrolidin-1-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(1,3-dihydroxypropan-2-yl)-1-pyrrolidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(1,3-dihydroxypropan-2-yl)pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(2-hydroxy-1-methylol-ethyl)pyrrolidino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H25FN2O6 MolecularWeight: 420.431403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)C(CO)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)C(CO)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H25FN2O6/c1-30-20-17-14(19(27)15(21(28)29)8-24(17)13-2-3-13)6-16(22)18(20)23-5-4-11(7-23)12(9-25)10-26/h6,8,11-13,25-26H,2-5,7,9-10H2,1H3,(H,28,29)