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

Systemtic Name: 2-phenyl-6-[[2-propyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]benzoate Openeye Name: 2-phenyl-6-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]benzoate CAS Name: 2-[[6-[[oxo(1-pyrrolidinyl)methyl]amino]-2-propyl-1-benzimidazolyl]methyl]-6-phenylbenzoate IUPAC Name: 2-phenyl-6-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]benzoate Traditional Name: 2-phenyl-6-[[2-propyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]benzoate Formula: C29H29N4O3- MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)NC(=O)N5CCCC5

InChI

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