4-[(6S)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate Openeye Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate CAS Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate IUPAC Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate Traditional Name: 4-[(6S)-5-carbomethoxy-2-keto-4-methyl-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]benzoate Formula: C21H16F3N2O5- MolecularWeight: 433.35735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H17F3N2O5/c1-11-16(19(29)31-2)17(14-5-3-4-6-15(14)21(22,23)24)25-20(30)26(11)13-9-7-12(8-10-13)18(27)28/h3-10,17H,1-2H3,(H,25,30)(H,27,28)/p-1/t17-/m0/s1