6-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H25F3N2O6 MolecularWeight: 458.42821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC(F)(F)F)CCCCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC(F)(F)F)CCCCCC(=O)O)C

InChI

InChI=1S/C21H25F3N2O6/c1-3-31-19(29)17-13(2)26(12-6-4-5-7-16(27)28)20(30)25-18(17)14-8-10-15(11-9-14)32-21(22,23)24/h8-11,18H,3-7,12H2,1-2H3,(H,25,30)(H,27,28)