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

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)-1-(3,3-diphenylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanophenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-cyanophenyl)-1-(3,3-diphenylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanophenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanophenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C34H30N4O3 MolecularWeight: 542.627

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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)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H30N4O3/c1-41-32(39)18-20-36-34(40)28-16-17-31-30(22-28)37-33(27-14-12-24(23-35)13-15-27)38(31)21-19-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,22,29H,18-21H2,1H3,(H,36,40)