1-heptan-4-yl-7-methyl-4-oxidanylidene-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid

Systemtic Name: 1-heptan-4-yl-7-methyl-4-oxidanylidene-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid Openeye Name: 7-methyl-4-oxo-1-(1-propylbutyl)-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid CAS Name: 1-heptan-4-yl-7-methyl-4-oxo-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid IUPAC Name: 1-heptan-4-yl-7-methyl-4-oxo-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid Traditional Name: 4-keto-7-methyl-1-(1-propylbutyl)-5-triflyloxy-2,3-dihydro-1,6-naphthyridine-3-carboxylic acid Formula: C18H23F3N2O6S MolecularWeight: 452.44523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CC(C(=O)C2=C(N=C(C=C21)C)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCC(CCC)N1CC(C(=O)C2=C(N=C(C=C21)C)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H23F3N2O6S/c1-4-6-11(7-5-2)23-9-12(17(25)26)15(24)14-13(23)8-10(3)22-16(14)29-30(27,28)18(19,20)21/h8,11-12H,4-7,9H2,1-3H3,(H,25,26)