2-[[2-ethyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-ethyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-ethyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-ethyl-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-ethyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-ethyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C28H28N4O3/c1-2-25-30-23-14-13-21(29-28(35)31-15-6-7-16-31)17-24(23)32(25)18-20-11-8-12-22(26(20)27(33)34)19-9-4-3-5-10-19/h3-5,8-14,17H,2,6-7,15-16,18H2,1H3,(H,29,35)(H,33,34)