sodium 3-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]prop-2-ynoate

Systemtic Name: sodium 3-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]prop-2-ynoate Openeye Name: sodium 3-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]prop-2-ynoate CAS Name: sodium 3-[4-[[6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]-2-propynoate IUPAC Name: sodium 3-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]prop-2-ynoate Traditional Name: sodium 3-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]propiolate Formula: C28H23N4NaO2 MolecularWeight: 470.49759

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C#CC(=O)[O-])C=C(C=C2)C4=NC5=CC=CC=C5N4C.[Na+]

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C#CC(=O)[O-])C=C(C=C2)C4=NC5=CC=CC=C5N4C.[Na+]

InChI

InChI=1S/C28H24N4O2.Na/c1-3-6-26-29-23-15-14-21(28-30-22-7-4-5-8-24(22)31(28)2)17-25(23)32(26)18-20-11-9-19(10-12-20)13-16-27(33)34;/h4-5,7-12,14-15,17H,3,6,18H2,1-2H3,(H,33,34);/q;+1/p-1