3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(3-pyridyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(3-pyridinyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(3-pyridyl)pyrimidin-4-yl]amino]propionic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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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=CN=CC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2C3=CN=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-26(2)21(29)30-16-7-5-14(6-8-16)10-18(20(27)28)25-19-17(12-23-13-24-19)15-4-3-9-22-11-15/h3-9,11-13,18H,10H2,1-2H3,(H,27,28)(H,23,24,25)