6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-ethoxy-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-ethoxy-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-8-ethoxy-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-ethoxy-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClFNO5 MolecularWeight: 419.830663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2CCO)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2CCO)C(=O)O

InChI

InChI=1S/C21H19ClFNO5/c1-2-29-17-10-12(8-13-4-3-5-16(22)18(13)23)9-14-19(17)24(6-7-25)11-15(20(14)26)21(27)28/h3-5,9-11,25H,2,6-8H2,1H3,(H,27,28)