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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-[(4-cyclopropylphenyl)amino]-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-2-(4-cyclopropylanilino)-3-methyl-butanoate CAS Name: 2-cyano-2-(4-cyclopropylanilino)-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-2-(4-cyclopropylanilino)-3-methylbutanoate Traditional Name: 2-cyano-2-(4-cyclopropylanilino)-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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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)C4CC4

Isomeric SMILES

CC(C)C(C#N)(C(=O)OCC1=NC(=CC=C1)OC2=CC=CC=C2)NC3=CC=C(C=C3)C4CC4

InChI

InChI=1S/C27H27N3O3/c1-19(2)27(18-28,30-22-15-13-21(14-16-22)20-11-12-20)26(31)32-17-23-7-6-10-25(29-23)33-24-8-4-3-5-9-24/h3-10,13-16,19-20,30H,11-12,17H2,1-2H3