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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-[(4-methoxyphenyl)amino]-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-2-(4-methoxyanilino)-3-methyl-butanoate CAS Name: 2-cyano-2-(4-methoxyanilino)-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-(4-methoxyanilino)-3-methylbutanoate Traditional Name: 2-cyano-3-methyl-2-(p-anisidino)butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4/c1-18(2)25(17-26,28-19-12-14-21(30-3)15-13-19)24(29)31-16-20-8-7-11-23(27-20)32-22-9-5-4-6-10-22/h4-15,18,28H,16H2,1-3H3