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

Systemtic Name: methyl (2S)-3-[4-(2-cyanophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-cyanophenyl)phenyl]propanoate CAS Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(2-cyanophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-cyanophenyl)phenyl]propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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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)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)OC

InChI

InChI=1S/C22H24N2O4/c1-22(2,3)28-21(26)24-19(20(25)27-4)13-15-9-11-16(12-10-15)18-8-6-5-7-17(18)14-23/h5-12,19H,13H2,1-4H3,(H,24,26)/t19-/m0/s1