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

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-[(4-ethylphenyl)amino]-3-methyl-butanoate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] 2-(4-ethylanilino)-3-methyl-butanoate CAS Name: 2-(4-ethylanilino)-3-methylbutanoic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-(4-ethylanilino)-3-methylbutanoate Traditional Name: 2-(4-ethylanilino)-3-methyl-butyric acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(C(C)C)C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(C(C)C)C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3/c1-4-19-13-15-20(16-14-19)28-25(18(2)3)26(30)32-23(17-27)22-11-8-12-24(29-22)31-21-9-6-5-7-10-21/h5-16,18,23,25,28H,4H2,1-3H3