3-[4-(4-azanylbutyl)phenoxy]propanoic acid

Systemtic Name: 3-[4-(4-azanylbutyl)phenoxy]propanoic acid Openeye Name: 3-[4-(4-aminobutyl)phenoxy]propanoic acid CAS Name: 3-[4-(4-aminobutyl)phenoxy]propanoic acid IUPAC Name: 3-[4-(4-aminobutyl)phenoxy]propanoic acid Traditional Name: 3-[4-(4-aminobutyl)phenoxy]propionic acid Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCN)OCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCN)OCCC(=O)O

InChI

InChI=1S/C13H19NO3/c14-9-2-1-3-11-4-6-12(7-5-11)17-10-8-13(15)16/h4-7H,1-3,8-10,14H2,(H,15,16)