ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)phenyl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)phenyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6,8-difluoro-7-[3-(hydroxymethyl)phenyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methylolphenyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H19F2NO4 MolecularWeight: 387.376666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F2NO4/c1-3-24-10-15(21(27)28-4-2)20(26)14-9-16(22)17(18(23)19(14)24)13-7-5-6-12(8-13)11-25/h5-10,25H,3-4,11H2,1-2H3