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

Systemtic Name: 3-[2-[4-(1-adamantylcarbamoyl)-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid Openeye Name: 3-[2-[4-(1-adamantylcarbamoyl)-2-(o-tolyl)-1H-imidazol-5-yl]ethyl]benzoic acid CAS Name: 3-[2-[4-[(1-adamantylamino)-oxomethyl]-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid IUPAC Name: 3-[2-[4-(1-adamantylcarbamoyl)-2-(2-methylphenyl)-1H-imidazol-5-yl]ethyl]benzoic acid Traditional Name: 3-[2-[4-(1-adamantylcarbamoyl)-2-(o-tolyl)-1H-imidazol-5-yl]ethyl]benzoic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(N2)CCC3=CC=CC(=C3)C(=O)O)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(N2)CCC3=CC=CC(=C3)C(=O)O)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33N3O3/c1-18-5-2-3-8-24(18)27-31-25(10-9-19-6-4-7-23(14-19)29(35)36)26(32-27)28(34)33-30-15-20-11-21(16-30)13-22(12-20)17-30/h2-8,14,20-22H,9-13,15-17H2,1H3,(H,31,32)(H,33,34)(H,35,36)