3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-phenylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-phenylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-phenylpyrimidin-4-yl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(6-phenyl-4-pyrimidinyl)amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-phenylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-phenylpyrimidin-4-yl)amino]propionic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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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(=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-26(2)22(29)30-17-10-8-15(9-11-17)12-19(21(27)28)25-20-13-18(23-14-24-20)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,27,28)(H,23,24,25)