(phenylmethyl) 2-(3-isocyanatophenyl)propanoate

Systemtic Name: (phenylmethyl) 2-(3-isocyanatophenyl)propanoate Openeye Name: benzyl 2-(3-isocyanatophenyl)propanoate CAS Name: 2-(3-isocyanatophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-isocyanatophenyl)propanoate Traditional Name: 2-(3-isocyanatophenyl)propionic acid benzyl ester Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3/c1-13(15-8-5-9-16(10-15)18-12-19)17(20)21-11-14-6-3-2-4-7-14/h2-10,13H,11H2,1H3