(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C20H21F3N2O5 MolecularWeight: 426.38635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H21F3N2O5/c1-12-9-15(30-17(12)19(27)28-2)11-29-18(26)13-5-7-25(8-6-13)16-4-3-14(10-24-16)20(21,22)23/h3-4,9-10,13H,5-8,11H2,1-2H3