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

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-cyanophenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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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)CCCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CCCCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O3/c1-36-27(34)16-17-31-29(35)24-14-15-26-25(19-24)32-28(23-12-10-22(20-30)11-13-23)33(26)18-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,10-15,19H,5-6,9,16-18H2,1H3,(H,31,35)