5-(octylamino)furan-2-carboxylic acid

Systemtic Name: 5-(octylamino)furan-2-carboxylic acid Openeye Name: 5-(octylamino)furan-2-carboxylic acid CAS Name: 5-(octylamino)-2-furancarboxylic acid IUPAC Name: 5-(octylamino)furan-2-carboxylic acid Traditional Name: 5-(octylamino)-2-furoic acid Formula: C13H21NO3 MolecularWeight: 239.31074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C13H21NO3/c1-2-3-4-5-6-7-10-14-12-9-8-11(17-12)13(15)16/h8-9,14H,2-7,10H2,1H3,(H,15,16)