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

Systemtic Name: methyl 2-[(5-bromanylpyridin-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(3-fluorophenyl)carbonylamino]propanoate Openeye Name: methyl 2-[(5-bromo-2-pyridyl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate CAS Name: 2-[(5-bromo-2-pyridinyl)amino]-3,3,3-trifluoro-2-[[(3-fluorophenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate Traditional Name: 2-[(5-bromo-2-pyridyl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propionic acid methyl ester Formula: C16H12BrF4N3O3 MolecularWeight: 450.182393

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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)C2=CC(=CC=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF4N3O3/c1-27-14(26)15(16(19,20)21,23-12-6-5-10(17)8-22-12)24-13(25)9-3-2-4-11(18)7-9/h2-8H,1H3,(H,22,23)(H,24,25)