2-[[5-[3-bromanyl-4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-[3-bromanyl-4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid Openeye Name: 2-[[5-[3-bromo-4-[[methyl(2-pyridyl)amino]methyl]phenyl]tetrazol-2-yl]methyl]benzoic acid CAS Name: 2-[[5-[3-bromo-4-[[methyl(2-pyridinyl)amino]methyl]phenyl]-2-tetrazolyl]methyl]benzoic acid IUPAC Name: 2-[[5-[3-bromo-4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]tetrazol-2-yl]methyl]benzoic acid Traditional Name: 2-[[5-[3-bromo-4-[[methyl(2-pyridyl)amino]methyl]phenyl]tetrazol-2-yl]methyl]benzoic acid Formula: C22H19BrN6O2 MolecularWeight: 479.32926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3C(=O)O)Br)C4=CC=CC=N4

Isomeric SMILES

CN(CC1=C(C=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3C(=O)O)Br)C4=CC=CC=N4

InChI

InChI=1S/C22H19BrN6O2/c1-28(20-8-4-5-11-24-20)13-17-10-9-15(12-19(17)23)21-25-27-29(26-21)14-16-6-2-3-7-18(16)22(30)31/h2-12H,13-14H2,1H3,(H,30,31)