5-tert-butyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-1H-indole-2-carboxylic acid Openeye Name: 5-tert-butyl-1H-indole-2-carboxylic acid CAS Name: 5-tert-butyl-1H-indole-2-carboxylic acid IUPAC Name: 5-tert-butyl-1H-indole-2-carboxylic acid Traditional Name: 5-tert-butyl-1H-indole-2-carboxylic acid Formula: C13H15NO2 MolecularWeight: 217.2637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2)C(=O)O

InChI

InChI=1S/C13H15NO2/c1-13(2,3)9-4-5-10-8(6-9)7-11(14-10)12(15)16/h4-7,14H,1-3H3,(H,15,16)