ethyl 2-isocyano-2-methyl-3-[1-(phenylmethyl)imidazol-2-yl]propanoate

Systemtic Name: ethyl 2-isocyano-2-methyl-3-[1-(phenylmethyl)imidazol-2-yl]propanoate Openeye Name: ethyl 3-(1-benzylimidazol-2-yl)-2-isocyano-2-methyl-propanoate CAS Name: 2-isocyano-2-methyl-3-[1-(phenylmethyl)-2-imidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzylimidazol-2-yl)-2-isocyano-2-methylpropanoate Traditional Name: 3-(1-benzylimidazol-2-yl)-2-isocyano-2-methyl-propionic acid ethyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=NC=CN1CC2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CCOC(=O)C(C)(CC1=NC=CN1CC2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C17H19N3O2/c1-4-22-16(21)17(2,18-3)12-15-19-10-11-20(15)13-14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-2H3