2-[4-[[6-(5-oxidanylidenepyrrolidin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-(5-oxidanylidenepyrrolidin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(5-oxopyrrolidin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(5-oxo-2-pyrrolidinyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(5-oxopyrrolidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(5-ketopyrrolidin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5CCC(=O)N5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5CCC(=O)N5

InChI

InChI=1S/C28H27N3O3/c1-2-5-26-29-24-13-12-20(23-14-15-27(32)30-23)16-25(24)31(26)17-18-8-10-19(11-9-18)21-6-3-4-7-22(21)28(33)34/h3-4,6-13,16,23H,2,5,14-15,17H2,1H3,(H,30,32)(H,33,34)