(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC1=CC2=C(C=C1Br)OCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC1=CC2=C(C=C1Br)OCCO2

InChI

InChI=1S/C17H22BrNO6/c1-17(2,3)25-16(21)19-5-4-15(20)24-10-11-8-13-14(9-12(11)18)23-7-6-22-13/h8-9H,4-7,10H2,1-3H3,(H,19,21)