2-[4-[[2-ethyl-6-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-ethyl-6-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-6-(2-oxo-1-piperidyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-6-(2-oxo-1-piperidinyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-ethyl-6-(2-oxopiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(2-ketopiperidino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCC5=O

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCC5=O

InChI

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