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

Systemtic Name: 3-[[2-(1-adamantylmethyl)-5-phenethyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(1-adamantylmethyl)-5-phenethyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(1-adamantylmethyl)-5-phenethyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1-adamantylmethyl)-5-phenethyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(1-adamantylmethyl)-5-phenethyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=NC(=C(N4)CCC5=CC=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=NC(=C(N4)CCC5=CC=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H33N3O3/c34-28(31-24-8-4-7-23(14-24)29(35)36)27-25(10-9-19-5-2-1-3-6-19)32-26(33-27)18-30-15-20-11-21(16-30)13-22(12-20)17-30/h1-8,14,20-22H,9-13,15-18H2,(H,31,34)(H,32,33)(H,35,36)