4-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[5-(trifluoromethyl)-2-pyridyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[5-(trifluoromethyl)-2-pyridyl]propanoyl]amino]adamantane-1-carboxylic acid Formula: C21H25F3N2O3 MolecularWeight: 410.43001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC=C(C=C1)C(F)(F)F)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

Isomeric SMILES

CC(C)(C1=NC=C(C=C1)C(F)(F)F)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

InChI

InChI=1S/C21H25F3N2O3/c1-19(2,15-4-3-14(10-25-15)21(22,23)24)17(27)26-16-12-5-11-6-13(16)9-20(7-11,8-12)18(28)29/h3-4,10-13,16H,5-9H2,1-2H3,(H,26,27)(H,28,29)