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

Systemtic Name: 2-[4-[[2-propyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-[[oxo(1-pyrrolidinyl)methyl]amino]-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C29H30N4O3 MolecularWeight: 482.5735

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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)NC(=O)N5CCCC5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C29H30N4O3/c1-2-7-27-31-25-15-14-22(30-29(36)32-16-5-6-17-32)18-26(25)33(27)19-20-10-12-21(13-11-20)23-8-3-4-9-24(23)28(34)35/h3-4,8-15,18H,2,5-7,16-17,19H2,1H3,(H,30,36)(H,34,35)