(phenylmethyl) (2S)-2-isocyano-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-isocyano-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-isocyano-4-methyl-pentanoate CAS Name: (2S)-2-isocyano-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-isocyano-4-methylpentanoate Traditional Name: (2S)-2-isocyano-4-methyl-valeric acid benzyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-11(2)9-13(15-3)14(16)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-2H3/t13-/m0/s1