6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3-methyl-1-oxidanyl-pentan-2-yl)-4-oxidanylidene-7-propan-2-yloxy-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3-methyl-1-oxidanyl-pentan-2-yl)-4-oxidanylidene-7-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-butyl]-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylpentan-2-yl)-4-oxo-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylpentan-2-yl)-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-isopropoxy-4-keto-1-(2-methyl-1-methylol-butyl)quinoline-3-carboxylic acid Formula: C26H29ClFNO5 MolecularWeight: 489.963563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClFNO5/c1-5-15(4)22(13-30)29-12-19(26(32)33)25(31)18-10-17(23(11-21(18)29)34-14(2)3)9-16-7-6-8-20(27)24(16)28/h6-8,10-12,14-15,22,30H,5,9,13H2,1-4H3,(H,32,33)