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

Systemtic Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-(1-adamantyloxymethyl)-2-cyclooctyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C31H41N3O4 MolecularWeight: 519.67494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCCCC3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C31H41N3O4/c1-19-9-10-24(14-25(19)30(36)37)32-29(35)27-26(33-28(34-27)23-7-5-3-2-4-6-8-23)18-38-31-15-20-11-21(16-31)13-22(12-20)17-31/h9-10,14,20-23H,2-8,11-13,15-18H2,1H3,(H,32,35)(H,33,34)(H,36,37)