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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-[(4-bromophenyl)amino]-2-cyano-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-(4-bromoanilino)-2-cyano-3-methyl-butanoate CAS Name: 2-(4-bromoanilino)-2-cyano-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-(4-bromoanilino)-2-cyano-3-methylbutanoate Traditional Name: 2-(4-bromoanilino)-2-cyano-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C24H22BrN3O3 MolecularWeight: 480.35378

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O3/c1-17(2)24(16-26,28-19-13-11-18(25)12-14-19)23(29)30-15-20-7-6-10-22(27-20)31-21-8-4-3-5-9-21/h3-14,17,28H,15H2,1-2H3