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

Systemtic Name: 3-[[5-(1-adamantylmethyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantylmethyl)-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantylmethyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantylmethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantylmethyl)-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(N2)CC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(N2)CC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H31N3O3/c1-17-5-2-3-8-23(17)26-31-24(16-29-13-18-9-19(14-29)11-20(10-18)15-29)25(32-26)27(33)30-22-7-4-6-21(12-22)28(34)35/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,30,33)(H,31,32)(H,34,35)