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

Systemtic Name: ethyl 3-[[2-[[(4-cyano-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N6O4/c1-4-38-27(35)12-14-34(25-7-5-6-13-30-25)28(36)20-9-11-23-22(16-20)32-26(33(23)2)18-31-21-10-8-19(17-29)15-24(21)37-3/h5-11,13,15-16,31H,4,12,14,18H2,1-3H3