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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-ethoxy-1-(3-methyl-1-oxidanyl-pentan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-ethoxy-1-[1-(hydroxymethyl)-2-methyl-butyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxy-3-methylpentan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxy-3-methylpentan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-ethoxy-4-keto-1-(2-methyl-1-methylol-butyl)quinoline-3-carboxylic acid Formula: C25H27ClFNO5 MolecularWeight: 475.936983

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)OCC)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)OCC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C25H27ClFNO5/c1-4-14(3)21(13-29)28-12-18(25(31)32)24(30)17-10-16(22(33-5-2)11-20(17)28)9-15-7-6-8-19(26)23(15)27/h6-8,10-12,14,21,29H,4-5,9,13H2,1-3H3,(H,31,32)