O2-ethyl O3-methyl 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate

Systemtic Name: O2-ethyl O3-methyl 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Openeye Name: O2-ethyl O3-methyl 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate CAS Name: 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester IUPAC Name: 2-O-ethyl 3-O-methyl 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Traditional Name: 4-amyl-1-triflyl-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester Formula: C20H24F3NO6S MolecularWeight: 463.46787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(N(C2=CC=CC=C21)S(=O)(=O)C(F)(F)F)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(N(C2=CC=CC=C21)S(=O)(=O)C(F)(F)F)C(=O)OCC)C(=O)OC

InChI

InChI=1S/C20H24F3NO6S/c1-4-6-7-11-14-13-10-8-9-12-15(13)24(31(27,28)20(21,22)23)17(19(26)30-5-2)16(14)18(25)29-3/h8-10,12,17H,4-7,11H2,1-3H3