ethyl (2S)-2-[(2-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylmethylamino)propanoate

Systemtic Name: ethyl (2S)-2-[(2-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylmethylamino)propanoate Openeye Name: ethyl (2S)-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(3-pyridylmethylamino)propanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-(3-pyridinylmethylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(pyridin-3-ylmethylamino)propanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(3-pyridylmethylamino)propionic acid ethyl ester Formula: C18H17ClF3N3O3 MolecularWeight: 415.79409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NCC1=CN=CC=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NCC1=CN=CC=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H17ClF3N3O3/c1-2-28-16(27)17(18(20,21)22,24-11-12-6-5-9-23-10-12)25-15(26)13-7-3-4-8-14(13)19/h3-10,24H,2,11H2,1H3,(H,25,26)/t17-/m0/s1