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

Systemtic Name: 7-[3-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidyl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidino]-6-fluoro-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(=C1N3CCCC(C3)C(CO)O)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCCC(C3)C(CO)O)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H25FN2O6/c1-30-20-17-13(19(27)14(21(28)29)9-24(17)12-4-5-12)7-15(22)18(20)23-6-2-3-11(8-23)16(26)10-25/h7,9,11-12,16,25-26H,2-6,8,10H2,1H3,(H,28,29)