methyl 3-[[2-(4-cyanophenyl)-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanophenyl)-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-cyanophenyl)-1-(3-pyridinylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanophenyl)-1-(pyridin-3-ylmethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanophenyl)-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CC4=CN=CC=C4

InChI

InChI=1S/C25H21N5O3/c1-33-23(31)10-12-28-25(32)20-8-9-22-21(13-20)29-24(19-6-4-17(14-26)5-7-19)30(22)16-18-3-2-11-27-15-18/h2-9,11,13,15H,10,12,16H2,1H3,(H,28,32)