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

Systemtic Name: 5-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCC3)COCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCC3)COCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C30H39N3O4/c1-18-7-8-23(12-24(18)29(35)36)31-28(34)26-25(32-27(33-26)22-5-3-2-4-6-22)16-37-17-30-13-19-9-20(14-30)11-21(10-19)15-30/h7-8,12,19-22H,2-6,9-11,13-17H2,1H3,(H,31,34)(H,32,33)(H,35,36)