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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-[(4-methylphenyl)amino]butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-3-methyl-2-(4-methylanilino)butanoate CAS Name: 2-cyano-3-methyl-2-(4-methylanilino)butanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-(4-methylanilino)butanoate Traditional Name: 2-cyano-3-methyl-2-(p-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=C(C=C1)NC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

InChI

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