(2S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(3-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(=C1)C2=CC(=NC(=N2)N3CCCC3C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC[C@H]3C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3/c1-26-11-5-2-4-10(8-11)12-9-14(17(18,19)20)22-16(21-12)23-7-3-6-13(23)15(24)25/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,24,25)/p-1/t13-/m0/s1