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

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(1-propylbutyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-heptan-4-yl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(1-propylbutyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C31H43N3O3 MolecularWeight: 505.69142

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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(=C(C=C5)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O3/c1-4-6-23(7-5-2)28-33-26(10-11-31-16-20-12-21(17-31)14-22(13-20)18-31)27(34-28)29(35)32-24-9-8-19(3)25(15-24)30(36)37/h8-9,15,20-23H,4-7,10-14,16-18H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)