1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C17H13Cl2F3N3O2- MolecularWeight: 419.20523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2F3N3O2/c18-11-2-1-10(7-12(11)19)13-8-14(17(20,21)22)24-16(23-13)25-5-3-9(4-6-25)15(26)27/h1-2,7-9H,3-6H2,(H,26,27)/p-1