methyl 3-[[2-[[(4-cyano-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-cyano-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: methyl 3-[[2-[(4-cyano-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyano-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyano-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyano-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid methyl ester Formula: C27H26N6O4 MolecularWeight: 498.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O4/c1-32-22-10-8-19(27(35)33(13-11-26(34)37-3)24-6-4-5-12-29-24)15-21(22)31-25(32)17-30-20-9-7-18(16-28)14-23(20)36-2/h4-10,12,14-15,30H,11,13,17H2,1-3H3