5-[[(3S)-3-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3S)-3-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[(3S)-3-methyl-1-piperidyl]methyl]furan-2-carboxylic acid CAS Name: 5-[[(3S)-3-methyl-1-piperidinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(3S)-3-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[(3S)-3-methylpiperidino]methyl]-2-furoic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H17NO3/c1-9-3-2-6-13(7-9)8-10-4-5-11(16-10)12(14)15/h4-5,9H,2-3,6-8H2,1H3,(H,14,15)/t9-/m0/s1