methyl 5-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxypyridine-3-carboxylate CAS Name: 5-[[2-(4-bromoanilino)-1-methyl-5-benzimidazolyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-3-carboxylate Traditional Name: 5-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxynicotinic acid methyl ester Formula: C21H17BrN4O3 MolecularWeight: 453.28868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CN=CC(=C3)C(=O)OC)N=C1NC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CN=CC(=C3)C(=O)OC)N=C1NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O3/c1-26-19-8-7-16(29-17-9-13(11-23-12-17)20(27)28-2)10-18(19)25-21(26)24-15-5-3-14(22)4-6-15/h3-12H,1-2H3,(H,24,25)