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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-ethyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-ethyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1-ethyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-ethylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1-ethyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H28N6O3/c1-3-33-24-13-10-21(17-23(24)32-26(33)19-31-22-11-8-20(18-29)9-12-22)28(36)34(16-14-27(35)37-4-2)25-7-5-6-15-30-25/h5-13,15,17,31H,3-4,14,16,19H2,1-2H3