ethyl 1-ethyl-6-fluoranyl-7-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6-fluoranyl-7-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)phenyl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)phenyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)phenyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(3-methylolphenyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO4/c1-3-23-11-17(21(26)27-4-2)20(25)16-9-18(22)15(10-19(16)23)14-7-5-6-13(8-14)12-24/h5-11,24H,3-4,12H2,1-2H3