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

Systemtic Name: 2-[4-[[[6-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]-propyl-amino]methyl]-2-methyl-phenoxy]ethanoate Openeye Name: 2-[4-[[[6-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]-propyl-amino]methyl]-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[[6-(4-chlorophenyl)-5-methyl-4-pyrimidinyl]-propylamino]methyl]-2-methylphenoxy]acetate IUPAC Name: 2-[4-[[[6-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-propylamino]methyl]-2-methylphenoxy]acetate Traditional Name: 2-[4-[[[6-(4-chlorophenyl)-5-methyl-pyrimidin-4-yl]-propyl-amino]methyl]-2-methyl-phenoxy]acetate Formula: C24H25ClN3O3- MolecularWeight: 438.9266

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-4-11-28(13-18-5-10-21(16(2)12-18)31-14-22(29)30)24-17(3)23(26-15-27-24)19-6-8-20(25)9-7-19/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,29,30)/p-1