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

Systemtic Name: 2-[2-methyl-4-[[[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-propyl-amino]methyl]phenoxy]ethanoate Openeye Name: 2-[2-methyl-4-[[[5-methyl-6-(p-tolyl)pyrimidin-4-yl]-propyl-amino]methyl]phenoxy]acetate CAS Name: 2-[2-methyl-4-[[[5-methyl-6-(4-methylphenyl)-4-pyrimidinyl]-propylamino]methyl]phenoxy]acetate IUPAC Name: 2-[2-methyl-4-[[[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-propylamino]methyl]phenoxy]acetate Traditional Name: 2-[2-methyl-4-[[[5-methyl-6-(p-tolyl)pyrimidin-4-yl]-propyl-amino]methyl]phenoxy]acetate Formula: C25H28N3O3- MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-12-28(14-20-8-11-22(18(3)13-20)31-15-23(29)30)25-19(4)24(26-16-27-25)21-9-6-17(2)7-10-21/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,29,30)/p-1