1-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]isonipecotate Formula: C18H18F2N3O3- MolecularWeight: 362.350626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F

InChI

InChI=1S/C18H19F2N3O3/c1-26-13-4-2-3-12(9-13)14-10-15(16(19)20)22-18(21-14)23-7-5-11(6-8-23)17(24)25/h2-4,9-11,16H,5-8H2,1H3,(H,24,25)/p-1