6-methyl-6-(2-methylpropylamino)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-methyl-6-(2-methylpropylamino)cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-(isobutylamino)-6-methyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-methyl-6-(2-methylpropylamino)-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-methyl-6-(2-methylpropylamino)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-(isobutylamino)-6-methyl-cyclohexa-2,4-diene-1-carboxylate Formula: C12H18NO2- MolecularWeight: 208.27682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1(C=CC=CC1C(=O)[O-])C

Isomeric SMILES

CC(C)CNC1(C=CC=CC1C(=O)[O-])C

InChI

InChI=1S/C12H19NO2/c1-9(2)8-13-12(3)7-5-4-6-10(12)11(14)15/h4-7,9-10,13H,8H2,1-3H3,(H,14,15)/p-1