4-[2-(4-iodanyl-2-methoxy-pyridin-3-yl)-7-methyl-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4-iodanyl-2-methoxy-pyridin-3-yl)-7-methyl-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-iodo-2-methoxy-3-pyridyl)-7-methyl-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4-iodo-2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4-iodo-2-methoxypyridin-3-yl)-7-methyl-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4-iodo-2-methoxy-3-pyridyl)-7-methyl-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid Formula: C19H20IN5O3 MolecularWeight: 493.29827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(N2)C3=C(C=CN=C3OC)I)N4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1N=C(N2)C3=C(C=CN=C3OC)I)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C19H20IN5O3/c1-11-9-12(24-5-7-25(8-6-24)19(26)27)10-14-16(11)23-17(22-14)15-13(20)3-4-21-18(15)28-2/h3-4,9-10H,5-8H2,1-2H3,(H,22,23)(H,26,27)