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

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[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=CC=C1NC(=O)C2=C(NC(=N2)C3CCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(NC(=N2)C3CCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H37N3O4/c1-17-22(28(34)35)8-5-9-23(17)31-27(33)25-24(30-26(32-25)21-6-3-2-4-7-21)16-36-29-13-18-10-19(14-29)12-20(11-18)15-29/h5,8-9,18-21H,2-4,6-7,10-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)