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

Systemtic Name: 2-[(6-bromanylpyridin-2-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[(6-bromo-2-pyridyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[(6-bromo-2-pyridinyl)amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(6-bromopyridin-2-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[(6-bromo-2-pyridyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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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(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4/c1-21(2)17(24)25-12-8-6-11(7-9-12)10-13(16(22)23)19-15-5-3-4-14(18)20-15/h3-9,13H,10H2,1-2H3,(H,19,20)(H,22,23)