(phenylmethyl) 3-[4-(cyanomethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[4-(cyanomethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-[4-(cyanomethoxy)phenyl]propanoate CAS Name: 3-[4-(cyanomethoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(cyanomethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(cyanomethoxy)phenyl]propionic acid benzyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5/c1-23(2,3)30-22(27)25-20(21(26)29-16-18-7-5-4-6-8-18)15-17-9-11-19(12-10-17)28-14-13-24/h4-12,20H,14-16H2,1-3H3,(H,25,27)