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

Systemtic Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-ethyl-phenoxy]ethanoate Openeye Name: 2-[4-[[butyl-[5-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]methyl]-2-ethyl-phenoxy]acetate CAS Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino]methyl]-2-ethylphenoxy]acetate IUPAC Name: 2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-ethylphenoxy]acetate Traditional Name: 2-[4-[[butyl-[5-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]methyl]-2-ethyl-phenoxy]acetate Formula: C27H32N3O3- MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-5-7-14-30(16-21-10-13-24(22(6-2)15-21)33-17-25(31)32)27-20(4)26(28-18-29-27)23-11-8-19(3)9-12-23/h8-13,15,18H,5-7,14,16-17H2,1-4H3,(H,31,32)/p-1