(3-chloranyl-2-fluoranyl-phenyl)methyl 1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-7-(3-oxidanylpropoxy)quinoline-3-carboxylate

Systemtic Name: (3-chloranyl-2-fluoranyl-phenyl)methyl 1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-7-(3-oxidanylpropoxy)quinoline-3-carboxylate Openeye Name: (3-chloro-2-fluoro-phenyl)methyl 1-[1-(hydroxymethyl)-2-methyl-propyl]-7-(3-hydroxypropoxy)-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1-hydroxy-3-methylbutan-2-yl)-7-(3-hydroxypropoxy)-4-oxo-3-quinolinecarboxylic acid (3-chloro-2-fluorophenyl)methyl ester IUPAC Name: (3-chloro-2-fluorophenyl)methyl 1-(1-hydroxy-3-methylbutan-2-yl)-7-(3-hydroxypropoxy)-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-hydroxypropoxy)-4-keto-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid (3-chloro-2-fluoro-benzyl) ester Formula: C25H27ClFNO6 MolecularWeight: 491.936383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C=C2)OCCCO)C(=O)OCC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C=C2)OCCCO)C(=O)OCC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C25H27ClFNO6/c1-15(2)22(13-30)28-12-19(25(32)34-14-16-5-3-6-20(26)23(16)27)24(31)18-8-7-17(11-21(18)28)33-10-4-9-29/h3,5-8,11-12,15,22,29-30H,4,9-10,13-14H2,1-2H3