3-[[2-[[(5-cyanopyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(5-cyanopyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[[(5-cyano-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[[(5-cyano-2-pyridinyl)amino]methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[[(5-cyanopyridin-2-yl)amino]methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[[(5-cyano-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C24H21N7O4 MolecularWeight: 471.46804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=NC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H21N7O4/c1-30-19-7-6-17(35-24(34)31(11-9-23(32)33)21-4-2-3-10-26-21)12-18(19)29-22(30)15-28-20-8-5-16(13-25)14-27-20/h2-8,10,12,14H,9,11,15H2,1H3,(H,27,28)(H,32,33)