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

Systemtic Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C18H17F3N3O3- MolecularWeight: 380.34109

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC[C@@H](C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c1-27-13-6-2-4-11(8-13)14-9-15(18(19,20)21)23-17(22-14)24-7-3-5-12(10-24)16(25)26/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,25,26)/p-1/t12-/m0/s1