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

Systemtic Name: (2S)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Formula: C17H15F3N3O2- MolecularWeight: 350.31511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCC3C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC[C@H]3C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H16F3N3O2/c1-10-4-6-11(7-5-10)12-9-14(17(18,19)20)22-16(21-12)23-8-2-3-13(23)15(24)25/h4-7,9,13H,2-3,8H2,1H3,(H,24,25)/p-1/t13-/m0/s1