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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2R)-1-oxidanylpentan-2-yl]-7-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1R)-1-(hydroxymethyl)butyl]-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypentan-2-yl]-4-oxo-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypentan-2-yl]-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-isopropoxy-4-keto-1-[(1R)-1-methylolbutyl]quinoline-3-carboxylic acid Formula: C25H27ClFNO5 MolecularWeight: 475.936983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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@H](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/C25H27ClFNO5/c1-4-6-17(13-29)28-12-19(25(31)32)24(30)18-10-16(22(11-21(18)28)33-14(2)3)9-15-7-5-8-20(26)23(15)27/h5,7-8,10-12,14,17,29H,4,6,9,13H2,1-3H3,(H,31,32)/t17-/m1/s1