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

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)-1-(phenylmethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-benzyl-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-cyanophenyl)-1-(phenylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-benzyl-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[1-benzyl-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H22N4O3 MolecularWeight: 438.47788

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3/c1-33-24(31)13-14-28-26(32)21-11-12-23-22(15-21)29-25(20-9-7-18(16-27)8-10-20)30(23)17-19-5-3-2-4-6-19/h2-12,15H,13-14,17H2,1H3,(H,28,32)