3-[4-(2-cyanophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-cyanophenyl)phenyl]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-cyanophenyl)phenyl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)27-20(26)23-18(19(24)25)12-14-8-10-15(11-9-14)17-7-5-4-6-16(17)13-22/h4-11,18H,12H2,1-3H3,(H,23,26)(H,24,25)