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

Systemtic Name: 2-[[2-butyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C30H32N4O3/c1-2-3-14-27-32-25-16-15-23(31-30(37)33-17-7-8-18-33)19-26(25)34(27)20-22-12-9-13-24(28(22)29(35)36)21-10-5-4-6-11-21/h4-6,9-13,15-16,19H,2-3,7-8,14,17-18,20H2,1H3,(H,31,37)(H,35,36)