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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methylolpiperidino)quinoline-3-carboxylic acid Formula: C18H20F2N2O4 MolecularWeight: 366.359206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC(C3)CO)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC(C3)CO)F)C(=O)O

InChI

InChI=1S/C18H20F2N2O4/c1-2-21-8-12(18(25)26)17(24)11-6-13(19)16(14(20)15(11)21)22-5-3-4-10(7-22)9-23/h6,8,10,23H,2-5,7,9H2,1H3,(H,25,26)