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

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H28ClN3O4 MolecularWeight: 505.99262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5Cl)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5Cl)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C28H28ClN3O4/c29-22-7-2-1-6-21(22)25-31-23(15-36-28-12-16-8-17(13-28)10-18(9-16)14-28)24(32-25)26(33)30-20-5-3-4-19(11-20)27(34)35/h1-7,11,16-18H,8-10,12-15H2,(H,30,33)(H,31,32)(H,34,35)