methyl 3-[3-(4-bromanylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[3-(4-bromanylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-[3-(4-bromophenoxy)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[3-(4-bromophenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-bromophenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[3-(4-bromophenoxy)phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C21H24BrNO5/c1-21(2,3)28-20(25)23-18(19(24)26-4)13-14-6-5-7-17(12-14)27-16-10-8-15(22)9-11-16/h5-12,18H,13H2,1-4H3,(H,23,25)