3-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCCC(CCC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H39N3O4/c34-28(31-24-10-6-9-23(14-24)29(35)36)26-25(32-27(33-26)22-7-4-2-1-3-5-8-22)18-37-30-15-19-11-20(16-30)13-21(12-19)17-30/h6,9-10,14,19-22H,1-5,7-8,11-13,15-18H2,(H,31,34)(H,32,33)(H,35,36)