(phenylmethyl) 2-isocyano-3-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-isocyano-3-methyl-pentanoate Openeye Name: benzyl 2-isocyano-3-methyl-pentanoate CAS Name: 2-isocyano-3-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-isocyano-3-methylpentanoate Traditional Name: 2-isocyano-3-methyl-valeric acid benzyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-4-11(2)13(15-3)14(16)17-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-2H3