3-[2-cyano-4-(dimethylamino)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[2-cyano-4-(dimethylamino)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[2-cyano-4-(dimethylamino)phenoxy]propanoic acid CAS Name: 3-[2-cyano-4-(dimethylamino)phenoxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-cyano-4-(dimethylamino)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[2-cyano-4-(dimethylamino)phenoxy]propionic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COC1=C(C=C(C=C1)N(C)C)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(COC1=C(C=C(C=C1)N(C)C)C#N)C(=O)O

InChI

InChI=1S/C17H23N3O5/c1-17(2,3)25-16(23)19-13(15(21)22)10-24-14-7-6-12(20(4)5)8-11(14)9-18/h6-8,13H,10H2,1-5H3,(H,19,23)(H,21,22)