5-[[methyl(2-methylbutyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[methyl(2-methylbutyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[methyl(2-methylbutyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[methyl(2-methylbutyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[methyl(2-methylbutyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[methyl(2-methylbutyl)amino]methyl]-2-furoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)CC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCC(C)CN(C)CC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C12H19NO3/c1-4-9(2)7-13(3)8-10-5-6-11(16-10)12(14)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)