(6-phenoxypyridin-2-yl)methyl 2-cyano-2-[(3-fluorophenyl)amino]-3-methyl-butanoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-[(3-fluorophenyl)amino]-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-2-(3-fluoroanilino)-3-methyl-butanoate CAS Name: 2-cyano-2-(3-fluoroanilino)-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-(3-fluoroanilino)-3-methylbutanoate Traditional Name: 2-cyano-2-(3-fluoroanilino)-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C24H22FN3O3 MolecularWeight: 419.448183

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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(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O3/c1-17(2)24(16-26,28-19-9-6-8-18(25)14-19)23(29)30-15-20-10-7-13-22(27-20)31-21-11-4-3-5-12-21/h3-14,17,28H,15H2,1-2H3