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

Systemtic Name: ethyl 3-[[2-[[(5-cyanopyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[[(5-cyano-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[[(5-cyano-2-pyridinyl)amino]methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5-cyanopyridin-2-yl)amino]methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[[(5-cyano-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C26H25N7O4 MolecularWeight: 499.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(C=C4)C#N)C

InChI

InChI=1S/C26H25N7O4/c1-3-36-25(34)11-13-33(23-6-4-5-12-28-23)26(35)37-19-8-9-21-20(14-19)31-24(32(21)2)17-30-22-10-7-18(15-27)16-29-22/h4-10,12,14,16H,3,11,13,17H2,1-2H3,(H,29,30)