2-(bromomethyl)-1-(3-phenylpentan-3-yl)imidazole-4,5-dicarboxylate

Systemtic Name: 2-(bromomethyl)-1-(3-phenylpentan-3-yl)imidazole-4,5-dicarboxylate Openeye Name: 2-(bromomethyl)-1-(1-ethyl-1-phenyl-propyl)imidazole-4,5-dicarboxylate CAS Name: 2-(bromomethyl)-1-(3-phenylpentan-3-yl)imidazole-4,5-dicarboxylate IUPAC Name: 2-(bromomethyl)-1-(3-phenylpentan-3-yl)imidazole-4,5-dicarboxylate Traditional Name: 2-(bromomethyl)-1-(1-ethyl-1-phenyl-propyl)imidazole-4,5-dicarboxylate Formula: C17H17BrN2O4-2 MolecularWeight: 393.23188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1)N2C(=NC(=C2C(=O)[O-])C(=O)[O-])CBr

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1)N2C(=NC(=C2C(=O)[O-])C(=O)[O-])CBr

InChI

InChI=1S/C17H19BrN2O4/c1-3-17(4-2,11-8-6-5-7-9-11)20-12(10-18)19-13(15(21)22)14(20)16(23)24/h5-9H,3-4,10H2,1-2H3,(H,21,22)(H,23,24)/p-2