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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-cyano-2-(4-isopropylanilino)-3-methyl-butanoate CAS Name: 2-cyano-3-methyl-2-(4-propan-2-ylanilino)butanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-cyano-3-methyl-2-(4-propan-2-ylanilino)butanoate Traditional Name: 2-cumidino-2-cyano-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-19(2)21-13-15-22(16-14-21)30-27(18-28,20(3)4)26(31)32-17-23-9-8-12-25(29-23)33-24-10-6-5-7-11-24/h5-16,19-20,30H,17H2,1-4H3