1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Openeye Name: 1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate CAS Name: 1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxymethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Formula: C18H14F3N4O3- MolecularWeight: 391.32397

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H15F3N4O3/c1-2-11-3-5-12(6-4-11)14-9-15(18(19,20)21)23-17(22-14)28-10-25-8-7-13(24-25)16(26)27/h3-9H,2,10H2,1H3,(H,26,27)/p-1