4-[(3-ethoxy-3-oxidanylidene-propyl)-heptan-4-yl-amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylic acid

Systemtic Name: 4-[(3-ethoxy-3-oxidanylidene-propyl)-heptan-4-yl-amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylic acid Openeye Name: 4-[(3-ethoxy-3-oxo-propyl)-(1-propylbutyl)amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylic acid CAS Name: 4-[(3-ethoxy-3-oxopropyl)-heptan-4-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)-3-pyridinecarboxylic acid IUPAC Name: 4-[(3-ethoxy-3-oxopropyl)-heptan-4-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylic acid Traditional Name: 4-[(3-ethoxy-3-keto-propyl)-(1-propylbutyl)amino]-6-methyl-2-triflyloxy-nicotinic acid Formula: C20H29F3N2O7S MolecularWeight: 498.51367

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CCC(=O)OCC)C1=CC(=NC(=C1C(=O)O)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCCC(CCC)N(CCC(=O)OCC)C1=CC(=NC(=C1C(=O)O)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H29F3N2O7S/c1-5-8-14(9-6-2)25(11-10-16(26)31-7-3)15-12-13(4)24-18(17(15)19(27)28)32-33(29,30)20(21,22)23/h12,14H,5-11H2,1-4H3,(H,27,28)