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

Systemtic Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H37N3O4/c1-17-7-8-22(12-23(17)28(34)35)30-27(33)25-24(31-26(32-25)21-5-3-2-4-6-21)16-36-29-13-18-9-19(14-29)11-20(10-18)15-29/h7-8,12,18-21H,2-6,9-11,13-16H2,1H3,(H,30,33)(H,31,32)(H,34,35)