5-(azepan-1-ylmethyl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(azepan-1-ylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(azepan-1-ylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-(1-azepanylmethyl)-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-(azepan-1-ylmethyl)-2-methyl-3-furoic acid Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2CCCCCC2)C(=O)O

InChI

InChI=1S/C13H19NO3/c1-10-12(13(15)16)8-11(17-10)9-14-6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16)