3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid Openeye Name: 3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid CAS Name: 3-[[2-(2,2-dimethyl-1-oxobutoxy)ethylamino]-oxomethyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid Traditional Name: 3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid Formula: C20H31NO5 MolecularWeight: 365.46384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C20H31NO5/c1-4-18(2,3)17(25)26-6-5-21-15(22)19-8-13-7-14(9-19)11-20(10-13,12-19)16(23)24/h13-14H,4-12H2,1-3H3,(H,21,22)(H,23,24)