(phenylmethyl) (2S)-2-isocyano-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-isocyano-3-methyl-butanoate Openeye Name: benzyl (2S)-2-isocyano-3-methyl-butanoate CAS Name: (2S)-2-isocyano-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-isocyano-3-methylbutanoate Traditional Name: (2S)-2-isocyano-3-methyl-butyric acid benzyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)[N+]#[C-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)[N+]#[C-]

InChI

InChI=1S/C13H15NO2/c1-10(2)12(14-3)13(15)16-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-2H3/t12-/m0/s1