(phenylmethyl) 2-isocyanato-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-isocyanato-3-phenyl-propanoate Openeye Name: benzyl 2-isocyanato-3-phenyl-propanoate CAS Name: 2-isocyanato-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-isocyanato-3-phenylpropanoate Traditional Name: 2-isocyanato-3-phenyl-propionic acid benzyl ester Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C17H15NO3/c19-13-18-16(11-14-7-3-1-4-8-14)17(20)21-12-15-9-5-2-6-10-15/h1-10,16H,11-12H2