(2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Formula: C17H15F3N3O3- MolecularWeight: 366.31451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCCC3C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCC[C@H]3C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3/c1-26-13-7-3-2-5-10(13)11-9-14(17(18,19)20)22-16(21-11)23-8-4-6-12(23)15(24)25/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,24,25)/p-1/t12-/m0/s1