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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(phenylmethyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 2-[(5-benzylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(phenylmethyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 2-[(5-benzylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[(5-benzylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2CC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2CC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-27(2)23(30)31-19-10-8-17(9-11-19)13-20(22(28)29)26-21-18(14-24-15-25-21)12-16-6-4-3-5-7-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)