[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H25ClF3N3O3 MolecularWeight: 459.88971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCCC1)C#N)NC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)NC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C21H25ClF3N3O3/c1-13(2)18(27-16-7-6-14(10-15(16)22)21(23,24)25)19(30)31-11-17(29)28-20(12-26)8-4-3-5-9-20/h6-7,10,13,18,27H,3-5,8-9,11H2,1-2H3,(H,28,29)/t18-/m0/s1