(1R,6S)-6-(tert-butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(tert-butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(tert-butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(tert-butylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(tert-butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(tert-butylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)O

InChI

InChI=1S/C12H19NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h4-5,8-9H,6-7H2,1-3H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1