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

Systemtic Name: (2S)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Formula: C18H17F3N3O2- MolecularWeight: 364.34169

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCC3C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC[C@H]3C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2/c1-2-11-5-7-12(8-6-11)13-10-15(18(19,20)21)23-17(22-13)24-9-3-4-14(24)16(25)26/h5-8,10,14H,2-4,9H2,1H3,(H,25,26)/p-1/t14-/m0/s1