methyl 4-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O3/c1-29-19(28)14-2-5-16(6-3-14)25-18(27)13-8-10-26(11-9-13)17-7-4-15(12-24-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,25,27)