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

Systemtic Name: ethyl 4-[(3-ethoxy-3-oxidanylidene-propyl)-heptan-4-yl-amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate Openeye Name: ethyl 4-[(3-ethoxy-3-oxo-propyl)-(1-propylbutyl)amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate CAS Name: 4-[(3-ethoxy-3-oxopropyl)-heptan-4-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxy-3-oxopropyl)-heptan-4-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate Traditional Name: 4-[(3-ethoxy-3-keto-propyl)-(1-propylbutyl)amino]-6-methyl-2-triflyloxy-nicotinic acid ethyl ester Formula: C22H33F3N2O7S MolecularWeight: 526.56683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33F3N2O7S/c1-6-10-16(11-7-2)27(13-12-18(28)32-8-3)17-14-15(5)26-20(19(17)21(29)33-9-4)34-35(30,31)22(23,24)25/h14,16H,6-13H2,1-5H3