ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C27H26N6O4 MolecularWeight: 498.53314

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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=CC=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=CC=C(C=C4)C#N)C

InChI

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