3-[3-(azepan-1-ylcarbonyl)phenoxy]propanoic acid

Systemtic Name: 3-[3-(azepan-1-ylcarbonyl)phenoxy]propanoic acid Openeye Name: 3-[3-(azepane-1-carbonyl)phenoxy]propanoic acid CAS Name: 3-[3-[1-azepanyl(oxo)methyl]phenoxy]propanoic acid IUPAC Name: 3-[3-(azepane-1-carbonyl)phenoxy]propanoic acid Traditional Name: 3-[3-(azepane-1-carbonyl)phenoxy]propionic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)OCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)OCCC(=O)O

InChI

InChI=1S/C16H21NO4/c18-15(19)8-11-21-14-7-5-6-13(12-14)16(20)17-9-3-1-2-4-10-17/h5-7,12H,1-4,8-11H2,(H,18,19)