methyl 2-[(4-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[(4-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[(4-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[(4-bromophenyl)methyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)methyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-bromobenzyl)-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O2/c1-21-16(20)11-4-7-13-14(9-11)19-15(18-13)8-10-2-5-12(17)6-3-10/h2-7,9H,8H2,1H3,(H,18,19)