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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-propylbutyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-propylbutyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C30H41N3O3 MolecularWeight: 491.66484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CCCC(CCC)C1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C30H41N3O3/c1-3-6-22(7-4-2)27-32-25(10-11-30-16-19-12-20(17-30)14-21(13-19)18-30)26(33-27)28(34)31-24-9-5-8-23(15-24)29(35)36/h5,8-9,15,19-22H,3-4,6-7,10-14,16-18H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)