[6-(4-chloranylphenoxy)pyridin-2-yl]methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-2-cyano-3-methyl-butanoate

Systemtic Name: [6-(4-chloranylphenoxy)pyridin-2-yl]methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-2-cyano-3-methyl-butanoate Openeye Name: [6-(4-chlorophenoxy)-2-pyridyl]methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-2-cyano-3-methyl-butanoate CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-2-cyano-3-methylbutanoic acid [6-(4-chlorophenoxy)-2-pyridinyl]methyl ester IUPAC Name: [6-(4-chlorophenoxy)pyridin-2-yl]methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-2-cyano-3-methylbutanoate Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-2-cyano-3-methyl-butyric acid [6-(4-chlorophenoxy)-2-pyridyl]methyl ester Formula: C25H20Cl2F3N3O3 MolecularWeight: 538.34581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C(=O)OCC1=NC(=CC=C1)OC2=CC=C(C=C2)Cl)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C(C#N)(C(=O)OCC1=NC(=CC=C1)OC2=CC=C(C=C2)Cl)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C25H20Cl2F3N3O3/c1-15(2)24(14-31,33-21-11-6-16(12-20(21)27)25(28,29)30)23(34)35-13-18-4-3-5-22(32-18)36-19-9-7-17(26)8-10-19/h3-12,15,33H,13H2,1-2H3