3-[2-(azepan-1-yl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(azepan-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-(azepan-1-yl)ethoxy]benzoic acid CAS Name: 3-[2-(1-azepanyl)ethoxy]benzoic acid IUPAC Name: 3-[2-(azepan-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-(azepan-1-yl)ethoxy]benzoic acid Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H21NO3/c17-15(18)13-6-5-7-14(12-13)19-11-10-16-8-3-1-2-4-9-16/h5-7,12H,1-4,8-11H2,(H,17,18)