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

Systemtic Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propanoate CAS Name: 3-[[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propionic acid ethyl ester Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H27N5O3/c1-3-36-27(34)14-16-33(23-5-4-15-30-19-23)28(35)22-11-12-25-24(17-22)31-26(32(25)2)13-10-20-6-8-21(18-29)9-7-20/h4-9,11-12,15,17,19H,3,10,13-14,16H2,1-2H3