3-[2-[4-(1-adamantylmethylcarbamoyl)-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid

Systemtic Name: 3-[2-[4-(1-adamantylmethylcarbamoyl)-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid Openeye Name: 3-[2-[4-(1-adamantylmethylcarbamoyl)-2-(o-tolyl)-1H-imidazol-5-yl]ethyl]benzoic acid CAS Name: 3-[2-[4-[(1-adamantylmethylamino)-oxomethyl]-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid IUPAC Name: 3-[2-[4-(1-adamantylmethylcarbamoyl)-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid Traditional Name: 3-[2-[4-(1-adamantylmethylcarbamoyl)-2-(o-tolyl)-1H-imidazol-5-yl]ethyl]benzoic acid Formula: C31H35N3O3 MolecularWeight: 497.6279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(N2)CCC3=CC=CC(=C3)C(=O)O)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(N2)CCC3=CC=CC(=C3)C(=O)O)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O3/c1-19-5-2-3-8-25(19)28-33-26(10-9-20-6-4-7-24(14-20)30(36)37)27(34-28)29(35)32-18-31-15-21-11-22(16-31)13-23(12-21)17-31/h2-8,14,21-23H,9-13,15-18H2,1H3,(H,32,35)(H,33,34)(H,36,37)