ethyl 2-[(3-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[(3-bromophenyl)methyl]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-bromobenzyl)-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C17H15BrN2O2 MolecularWeight: 359.2172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN2O2/c1-2-22-17(21)12-6-7-14-15(10-12)20-16(19-14)9-11-4-3-5-13(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,20)