3,5-dimethyladamantan-1-amine; 2-oxidanyl-4-(trifluoromethyl)benzoic acid

Systemtic Name: 3,5-dimethyladamantan-1-amine; 2-oxidanyl-4-(trifluoromethyl)benzoic acid Openeye Name: 3,5-dimethyladamantan-1-amine; 2-hydroxy-4-(trifluoromethyl)benzoic acid CAS Name: 3,5-dimethyl-1-adamantanamine; 2-hydroxy-4-(trifluoromethyl)benzoic acid IUPAC Name: 3,5-dimethyladamantan-1-amine; 2-hydroxy-4-(trifluoromethyl)benzoic acid Traditional Name: (3,5-dimethyl-1-adamantyl)amine; 2-hydroxy-4-(trifluoromethyl)benzoic acid Formula: C20H26F3NO3 MolecularWeight: 385.42055

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O

InChI

InChI=1S/C12H21N.C8H5F3O3/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h9H,3-8,13H2,1-2H3;1-3,12H,(H,13,14)