2-[[2-methyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoate

Systemtic Name: 2-[[2-methyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoate Openeye Name: 2-[[2-methyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoate CAS Name: 2-[[2-methyl-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]-6-phenylbenzoate IUPAC Name: 2-[[2-methyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenylbenzoate Traditional Name: 2-[[2-methyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoate Formula: C27H25N4O3- MolecularWeight: 453.5124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C27H26N4O3/c1-18-28-23-13-12-21(29-27(34)30-14-5-6-15-30)16-24(23)31(18)17-20-10-7-11-22(25(20)26(32)33)19-8-3-2-4-9-19/h2-4,7-13,16H,5-6,14-15,17H2,1H3,(H,29,34)(H,32,33)/p-1