(6-phenoxypyridin-2-yl)methyl 2-cyano-2-[[3-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-[[3-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-2-[3-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-cyano-2-[3-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-[3-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-cyano-2-[3-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H21F4N3O3 MolecularWeight: 487.446153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F4N3O3/c1-16(2)24(15-30,32-17-11-12-20(21(26)13-17)25(27,28)29)23(33)34-14-18-7-6-10-22(31-18)35-19-8-4-3-5-9-19/h3-13,16,32H,14H2,1-2H3