methyl 2-benzamido-3,3,3-tris(fluoranyl)-2-(2-pyridin-3-ylpiperidin-1-yl)propanoate

Systemtic Name: methyl 2-benzamido-3,3,3-tris(fluoranyl)-2-(2-pyridin-3-ylpiperidin-1-yl)propanoate Openeye Name: methyl 2-benzamido-3,3,3-trifluoro-2-[2-(3-pyridyl)-1-piperidyl]propanoate CAS Name: 2-benzamido-3,3,3-trifluoro-2-[2-(3-pyridinyl)-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3,3,3-trifluoro-2-(2-pyridin-3-ylpiperidin-1-yl)propanoate Traditional Name: 2-benzamido-3,3,3-trifluoro-2-[2-(3-pyridyl)piperidino]propionic acid methyl ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCCCC2C3=CN=CC=C3

InChI

InChI=1S/C21H22F3N3O3/c1-30-19(29)20(21(22,23)24,26-18(28)15-8-3-2-4-9-15)27-13-6-5-11-17(27)16-10-7-12-25-14-16/h2-4,7-10,12,14,17H,5-6,11,13H2,1H3,(H,26,28)