3-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(4-bromo-2-fluoro-phenyl)-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(4-bromo-2-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(4-bromo-2-fluoro-phenyl)-3-(tert-butoxycarbonylamino)propionic acid Formula: C14H17BrFNO4 MolecularWeight: 362.191483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C14H17BrFNO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)