2-[[methyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid

Systemtic Name: 2-[[methyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid Openeye Name: 2-[[methyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid CAS Name: 2-[[methyl(2-methylbutyl)amino]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[methyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid Traditional Name: 2-[[methyl(2-methylbutyl)amino]methyl]-3-furoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)CC1=C(C=CO1)C(=O)O

Isomeric SMILES

CCC(C)CN(C)CC1=C(C=CO1)C(=O)O

InChI

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