3-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-(2-pyrrolidinyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CC(NC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C27H34N4O3/c32-25(29-20-4-1-3-19(12-20)26(33)34)23-21(30-24(31-23)22-5-2-8-28-22)6-7-27-13-16-9-17(14-27)11-18(10-16)15-27/h1,3-4,12,16-18,22,28H,2,5-11,13-15H2,(H,29,32)(H,30,31)(H,33,34)