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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-ethoxy-4-oxidanylidene-1-(1-oxidanylpropan-2-yl)quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-8-ethoxy-1-(2-hydroxy-1-methyl-ethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(1-hydroxypropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(1-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-ethoxy-1-(2-hydroxy-1-methyl-ethyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21ClFNO5 MolecularWeight: 433.857243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(C)CO)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(C)CO)C(=O)O

InChI

InChI=1S/C22H21ClFNO5/c1-3-30-18-9-13(7-14-5-4-6-17(23)19(14)24)8-15-20(18)25(12(2)11-26)10-16(21(15)27)22(28)29/h4-6,8-10,12,26H,3,7,11H2,1-2H3,(H,28,29)