4-(5-cyano-2-phenylmethoxy-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-(5-cyano-2-phenylmethoxy-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 4-(2-benzyloxy-5-cyano-phenoxy)-3-(tert-butoxycarbonylamino)butanoic acid CAS Name: 4-(5-cyano-2-phenylmethoxyphenoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(5-cyano-2-phenylmethoxyphenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 4-(2-benzoxy-5-cyano-phenoxy)-3-(tert-butoxycarbonylamino)butyric acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)COC1=C(C=CC(=C1)C#N)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)COC1=C(C=CC(=C1)C#N)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O6/c1-23(2,3)31-22(28)25-18(12-21(26)27)15-30-20-11-17(13-24)9-10-19(20)29-14-16-7-5-4-6-8-16/h4-11,18H,12,14-15H2,1-3H3,(H,25,28)(H,26,27)