tert-butyl (2S)-2-isocyanato-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-isocyanato-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-isocyanato-3-phenyl-propanoate CAS Name: (2S)-2-isocyanato-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-isocyanato-3-phenylpropanoate Traditional Name: (2S)-2-isocyanato-3-phenyl-propionic acid tert-butyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)12(15-10-16)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/t12-/m0/s1