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

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-[(4-tert-butylphenyl)amino]-2-cyano-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-(4-tert-butylanilino)-2-cyano-3-methyl-butanoate CAS Name: 2-(4-tert-butylanilino)-2-cyano-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-(4-tert-butylanilino)-2-cyano-3-methylbutanoate Traditional Name: 2-(4-tert-butylanilino)-2-cyano-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-20(2)28(19-29,31-22-16-14-21(15-17-22)27(3,4)5)26(32)33-18-23-10-9-13-25(30-23)34-24-11-7-6-8-12-24/h6-17,20,31H,18H2,1-5H3