[(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] benzoate

Systemtic Name: [(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] benzoate Openeye Name: [(1S,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-22(2,3)28-21(26)24-18(14-16-10-6-4-7-11-16)19(15-23)27-20(25)17-12-8-5-9-13-17/h4-13,18-19H,14H2,1-3H3,(H,24,26)/t18-,19+/m0/s1