6-(2-tert-butylpyrimidin-5-yl)-5,5-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(2-tert-butylpyrimidin-5-yl)-5,5-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(2-tert-butylpyrimidin-5-yl)-5,5-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(2-tert-butyl-5-pyrimidinyl)-5,5-dimethyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(2-tert-butylpyrimidin-5-yl)-5,5-dimethylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(2-tert-butylpyrimidin-5-yl)-5,5-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=C(C1C2=CN=C(N=C2)C(C)(C)C)C(=O)O)C

Isomeric SMILES

CC1(C=CC=C(C1C2=CN=C(N=C2)C(C)(C)C)C(=O)O)C

InChI

InChI=1S/C17H22N2O2/c1-16(2,3)15-18-9-11(10-19-15)13-12(14(20)21)7-6-8-17(13,4)5/h6-10,13H,1-5H3,(H,20,21)