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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-ethylpropyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-ethylpropyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-3-20(4-2)25-30-23(8-9-28-14-17-10-18(15-28)12-19(11-17)16-28)24(31-25)26(32)29-22-7-5-6-21(13-22)27(33)34/h5-7,13,17-20H,3-4,8-12,14-16H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)