ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate

Systemtic Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate Openeye Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate CAS Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(homoveratrylamino)-2-nicotinamido-propionic acid ethyl ester Formula: C21H24F3N3O5 MolecularWeight: 455.42757

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H24F3N3O5/c1-4-32-19(29)20(21(22,23)24,27-18(28)15-6-5-10-25-13-15)26-11-9-14-7-8-16(30-2)17(12-14)31-3/h5-8,10,12-13,26H,4,9,11H2,1-3H3,(H,27,28)/t20-/m0/s1