4-[[2-(cyclohexylmethoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-(cyclohexylmethoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-(cyclohexylmethoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-(cyclohexylmethoxy)-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-(cyclohexylmethoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-(cyclohexylmethoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C22H35NO4 MolecularWeight: 377.5176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OCC4CCCCC4

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OCC4CCCCC4

InChI

InChI=1S/C22H35NO4/c1-21(2,27-13-14-6-4-3-5-7-14)19(24)23-18-16-8-15-9-17(18)12-22(10-15,11-16)20(25)26/h14-18H,3-13H2,1-2H3,(H,23,24)(H,25,26)