3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]propionic acid Formula: C25H28FN5O5 MolecularWeight: 497.518723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2C3=CC=CC=C3F)N(C)CCO

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2C3=CC=CC=C3F)N(C)CCO

InChI

InChI=1S/C25H28FN5O5/c1-30(2)25(35)36-17-10-8-16(9-11-17)14-21(23(33)34)28-22-19(18-6-4-5-7-20(18)26)15-27-24(29-22)31(3)12-13-32/h4-11,15,21,32H,12-14H2,1-3H3,(H,33,34)(H,27,28,29)