4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridine-2-carboxylic acid

Systemtic Name: 4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridine-2-carboxylic acid Openeye Name: 4-[2-(4-bromo-3-methyl-anilino)-1-methyl-benzimidazol-5-yl]oxypyridine-2-carboxylic acid CAS Name: 4-[[2-(4-bromo-3-methylanilino)-1-methyl-5-benzimidazolyl]oxy]-2-pyridinecarboxylic acid IUPAC Name: 4-[2-(4-bromo-3-methylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid Traditional Name: 4-[2-(4-bromo-3-methyl-anilino)-1-methyl-benzimidazol-5-yl]oxypicolinic acid Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC3=C(N2C)C=CC(=C3)OC4=CC(=NC=C4)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC3=C(N2C)C=CC(=C3)OC4=CC(=NC=C4)C(=O)O)Br

InChI

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