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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-[(2-chloranyl-4-cyano-phenyl)amino]-2-cyano-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-(2-chloro-4-cyano-anilino)-2-cyano-3-methyl-butanoate CAS Name: 2-(2-chloro-4-cyanoanilino)-2-cyano-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-(2-chloro-4-cyanoanilino)-2-cyano-3-methylbutanoate Traditional Name: 2-(2-chloro-4-cyano-anilino)-2-cyano-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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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=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O3/c1-17(2)25(16-28,30-22-12-11-18(14-27)13-21(22)26)24(31)32-15-19-7-6-10-23(29-19)33-20-8-4-3-5-9-20/h3-13,17,30H,15H2,1-2H3