(phenylmethyl) 2-isocyanato-4,4-dimethyl-pentanoate

Systemtic Name: (phenylmethyl) 2-isocyanato-4,4-dimethyl-pentanoate Openeye Name: benzyl 2-isocyanato-4,4-dimethyl-pentanoate CAS Name: 2-isocyanato-4,4-dimethylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-isocyanato-4,4-dimethylpentanoate Traditional Name: 2-isocyanato-4,4-dimethyl-valeric acid benzyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)OCC1=CC=CC=C1)N=C=O

Isomeric SMILES

CC(C)(C)CC(C(=O)OCC1=CC=CC=C1)N=C=O

InChI

InChI=1S/C15H19NO3/c1-15(2,3)9-13(16-11-17)14(18)19-10-12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3