[(3S)-4-isocyanato-3-phenyl-butyl] ethanoate

Systemtic Name: [(3S)-4-isocyanato-3-phenyl-butyl] ethanoate Openeye Name: [(3S)-4-isocyanato-3-phenyl-butyl] acetate CAS Name: acetic acid [(3S)-4-isocyanato-3-phenylbutyl] ester IUPAC Name: [(3S)-4-isocyanato-3-phenylbutyl] acetate Traditional Name: acetic acid [(3S)-4-isocyanato-3-phenyl-butyl] ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CN=C=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)OCC[C@H](CN=C=O)C1=CC=CC=C1

InChI

InChI=1S/C13H15NO3/c1-11(16)17-8-7-13(9-14-10-15)12-5-3-2-4-6-12/h2-6,13H,7-9H2,1H3/t13-/m1/s1