propan-2-yl (2S)-2-isocyanato-3-phenyl-propanoate

Systemtic Name: propan-2-yl (2S)-2-isocyanato-3-phenyl-propanoate Openeye Name: isopropyl (2S)-2-isocyanato-3-phenyl-propanoate CAS Name: (2S)-2-isocyanato-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-isocyanato-3-phenylpropanoate Traditional Name: (2S)-2-isocyanato-3-phenyl-propionic acid isopropyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-10(2)17-13(16)12(14-9-15)8-11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3/t12-/m0/s1