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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-[(2-methylphenyl)amino]butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-3-methyl-2-(2-methylanilino)butanoate CAS Name: 2-cyano-3-methyl-2-(2-methylanilino)butanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-(2-methylanilino)butanoate Traditional Name: 2-cyano-3-methyl-2-(o-toluidino)butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3/c1-18(2)25(17-26,28-22-14-8-7-10-19(22)3)24(29)30-16-20-11-9-15-23(27-20)31-21-12-5-4-6-13-21/h4-15,18,28H,16H2,1-3H3