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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=C(C(=O)C2=CC(=CC(=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC(CO)N1C=C(C(=O)C2=CC(=CC(=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

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