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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclododecyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclododecyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cyclododecyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclododecyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclododecyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C35H49N3O3 MolecularWeight: 559.78186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCCCCC(CCCCC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C35H49N3O3/c39-33(36-29-14-10-13-28(20-29)34(40)41)31-30(15-16-35-21-24-17-25(22-35)19-26(18-24)23-35)37-32(38-31)27-11-8-6-4-2-1-3-5-7-9-12-27/h10,13-14,20,24-27H,1-9,11-12,15-19,21-23H2,(H,36,39)(H,37,38)(H,40,41)