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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-ethoxy-4-oxidanylidene-1-[(2R)-1-oxidanylpentan-2-yl]quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-8-ethoxy-1-[(1R)-1-(hydroxymethyl)butyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-[(2R)-1-hydroxypentan-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-[(2R)-1-hydroxypentan-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-ethoxy-4-keto-1-[(1R)-1-methylolbutyl]quinoline-3-carboxylic acid Formula: C24H25ClFNO5 MolecularWeight: 461.910403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](CO)N1C=C(C(=O)C2=CC(=CC(=C21)OCC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C24H25ClFNO5/c1-3-6-16(13-28)27-12-18(24(30)31)23(29)17-10-14(11-20(22(17)27)32-4-2)9-15-7-5-8-19(25)21(15)26/h5,7-8,10-12,16,28H,3-4,6,9,13H2,1-2H3,(H,30,31)/t16-/m1/s1