[2-oxidanylidene-2-[[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amino]ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amino]ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-keto-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3

InChI

InChI=1S/C21H19F3N4O3/c1-2-16(14-6-4-3-5-7-14)20(30)31-11-19(29)27-17-10-15(21(22,23)24)8-9-18(17)28-13-25-12-26-28/h3-10,12-13,16H,2,11H2,1H3,(H,27,29)/t16-/m1/s1