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

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(1-ethylpropyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pentan-3-yl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(1-ethylpropyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C29H39N3O3 MolecularWeight: 477.63826

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O3/c1-4-21(5-2)26-31-24(8-9-29-14-18-10-19(15-29)12-20(11-18)16-29)25(32-26)27(33)30-22-7-6-17(3)23(13-22)28(34)35/h6-7,13,18-21H,4-5,8-12,14-16H2,1-3H3,(H,30,33)(H,31,32)(H,34,35)