methyl 2-[(5-bromanylpyridin-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)propanoate

Systemtic Name: methyl 2-[(5-bromanylpyridin-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)propanoate Openeye Name: methyl 2-[(5-bromo-2-pyridyl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate CAS Name: 2-[(5-bromo-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate Traditional Name: 2-[(5-bromo-2-pyridyl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propionic acid methyl ester Formula: C17H15BrF3N3O3 MolecularWeight: 446.21851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)(NC1=NC=C(C=C1)Br)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C(F)(F)F)(NC1=NC=C(C=C1)Br)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H15BrF3N3O3/c1-27-15(26)16(17(19,20)21,23-13-8-7-12(18)10-22-13)24-14(25)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,22,23)(H,24,25)