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

Systemtic Name: [6-(2-fluoranylphenoxy)pyridin-2-yl]methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-2-cyano-3-methyl-butanoate Openeye Name: [6-(2-fluorophenoxy)-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-(2-fluorophenoxy)-2-pyridinyl]methyl ester IUPAC Name: [6-(2-fluorophenoxy)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-(2-fluorophenoxy)-2-pyridyl]methyl ester Formula: C25H20ClF4N3O3 MolecularWeight: 521.891213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C(=O)OCC1=NC(=CC=C1)OC2=CC=CC=C2F)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=CC=C2F)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C25H20ClF4N3O3/c1-15(2)24(14-31,33-20-11-10-16(12-18(20)26)25(28,29)30)23(34)35-13-17-6-5-9-22(32-17)36-21-8-4-3-7-19(21)27/h3-12,15,33H,13H2,1-2H3