ethyl 1-[1,3-bis(oxidanyl)propan-2-yl]-7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[1,3-bis(oxidanyl)propan-2-yl]-7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(cyclohexylamino)-6-fluoro-1-[2-hydroxy-1-(hydroxymethyl)ethyl]-4-oxo-quinoline-3-carboxylate CAS Name: 7-(cyclohexylamino)-1-(1,3-dihydroxypropan-2-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(cyclohexylamino)-1-(1,3-dihydroxypropan-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(cyclohexylamino)-6-fluoro-1-(2-hydroxy-1-methylol-ethyl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H27FN2O5 MolecularWeight: 406.447883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C(CO)CO

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C(CO)CO

InChI

InChI=1S/C21H27FN2O5/c1-2-29-21(28)16-10-24(14(11-25)12-26)19-9-18(17(22)8-15(19)20(16)27)23-13-6-4-3-5-7-13/h8-10,13-14,23,25-26H,2-7,11-12H2,1H3