2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)pyrimidin-2-yl]amino]propyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)pyrimidin-2-yl]amino]propyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)pyrimidin-2-yl]amino]propyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)-2-pyrimidinyl]amino]propyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)pyrimidin-2-yl]amino]propyl]-methylamino]acetic acid Traditional Name: 2-[[3-(4-fluorophenyl)-3-[[5-(4-methylphenoxy)pyrimidin-2-yl]amino]propyl]-methyl-amino]acetic acid Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CN=C(N=C2)NC(CCN(C)CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CN=C(N=C2)NC(CCN(C)CC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN4O3/c1-16-3-9-19(10-4-16)31-20-13-25-23(26-14-20)27-21(11-12-28(2)15-22(29)30)17-5-7-18(24)8-6-17/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,29,30)(H,25,26,27)