2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-methyl-phenoxy]ethanoate

Systemtic Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-methyl-phenoxy]ethanoate Openeye Name: 2-[4-[[butyl-[5-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]methyl]-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino]methyl]-2-methylphenoxy]acetate IUPAC Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-methylphenoxy]acetate Traditional Name: 2-[4-[[butyl-[5-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]methyl]-2-methyl-phenoxy]acetate Formula: C26H30N3O3- MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C=C1)OCC(=O)[O-])C)C2=NC=NC(=C2C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(CC1=CC(=C(C=C1)OCC(=O)[O-])C)C2=NC=NC(=C2C)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31N3O3/c1-5-6-13-29(15-21-9-12-23(19(3)14-21)32-16-24(30)31)26-20(4)25(27-17-28-26)22-10-7-18(2)8-11-22/h7-12,14,17H,5-6,13,15-16H2,1-4H3,(H,30,31)/p-1