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

Systemtic Name: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4,4-bis(hydroxymethyl)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4,4-bis(hydroxymethyl)-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,4-dimethylolpiperidino)-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H25FN2O5 MolecularWeight: 404.432003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(CC3)(CO)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)(CO)CO)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H25FN2O5/c1-12-17-14(19(27)15(20(28)29)9-24(17)13-2-3-13)8-16(22)18(12)23-6-4-21(10-25,11-26)5-7-23/h8-9,13,25-26H,2-7,10-11H2,1H3,(H,28,29)